Subcellular Location: nucleoplasm

Found 500 associated metabolites.

4017 associated genes. A1CF, AAAS, AATF, ABCA6, ABCB4, ABCB6, ABCB8, ABCC6, ABCF1, ABCG2, ABHD14B, ABHD16B, ABHD5, ABI2, ABL1, ABRAXAS1, ACADS, ACADVL, ACBD5, ACD, ACIN1, ACKR2, ACLY, ACOT12, ACOT7, ACSF3, ACSL5, ACTB, ACTL6A, ACTR5, ACTR8, ADAM12, ADAR, ADARB1, ADAT2, ADAT3, ADD1, ADGRD1, ADH1A, ADH1B, ADH1C, ADH4, ADIRF, ADK, ADPRS, ADRA1A, ADRM1, AEBP2, AEN, AFDN, AFF3, AFF4, AFTPH, AGAP2, AGO1, AGO2, AGO3, AHCTF1, AHR, AHRR, AIM2, AIP, AIPL1, AIRIM, AJUBA, AK6, AK9, AKAP8, AKAP8L, AKIP1, AKIRIN1, AKIRIN2, AKNA, AKR1B1, AKT1, AKT1S1, AKT2, AKT3, ALAS1, ALDH1B1, ALDH1L2, ALDH6A1, ALG2, ALKBH1, ALKBH2, ALKBH3, ALKBH5, ALKBH6, ALKBH8, ALOX5, ALX1, ALX4, ALYREF, AMMECR1, AMOT, AMT, ANAPC1, ANAPC10, ANAPC11, ANAPC15, ANAPC16, ANAPC2, ANAPC4, ANAPC5, ANAPC7, ANKLE1, ANKRD1, ANKRD10, ANKRD11, ANKRD12, ANKRD17, ANKRD23, ANKRD28, ANKRD37, ANKRD61, ANKRD7, ANKS1A, ANKS1B, ANLN, ANO1, ANO2, ANP32A, ANP32B, ANXA1, ANXA11, ANXA13, AP5S1, AP5Z1, APBB1, APC, APC2, APEX1, APEX2, APLF, APLP1, APOBEC1, APOBEC3A, APOBEC3B, APOBEC3H, APPBP2, APRT, APTX, AQP3, AQR, AR, ARAP1, ARFGEF1, ARGLU1, ARHGAP15, ARHGAP28, ARHGAP32, ARHGAP33, ARHGAP4, ARHGEF11, ARHGEF5, ARID1A, ARID1B, ARID2, ARID3A, ARID3B, ARID4A, ARID4B, ARID5A, ARID5B, ARIH1, ARIH2, ARL14EP, ARL2, ARL2BP, ARL3, ARL4A, ARMC12, ARMC5, ARMC8, ARNT, ARNT2, ARPC2, ARPP19, ARRB1, ARRB2, ARSA, ART4, ASAP3, ASCC1, ASCC2, ASCC3, ASF1A, ASF1B, ASH1L, ASH2L, ASPSCR1, ASS1, ASXL1, ASXL2, ATAD2, ATAD2B, ATF1, ATF2, ATF3, ATF4, ATF5, ATF6, ATF6B, ATF7, ATF7IP, ATG12, ATG16L2, ATG4D, ATM, ATN1, ATOH8, ATP10D, ATP2B1, ATP6V1A, ATP6V1D, ATP8A2, ATP8B1, ATR, ATRIP, ATRX, ATXN1, ATXN1L, ATXN3, ATXN7, AURKA, AURKAIP1, AURKB, B4GALT2, BAALC, BABAM1, BABAM2, BACH1, BACH2, BAG1, BAG3, BAG6, BAHD1, BAIAP2, BAIAP2L1, BAIAP2L2, BANF1, BANP, BAP1, BARD1, BARX2, BATF, BATF3, BAZ1B, BCAS2, BCAT2, BCCIP, BCDIN3D, BCKDHB, BCL11A, BCL3, BCL6, BCL6B, BCL7A, BCL7B, BCL7C, BCL9, BCL9L, BCLAF1, BCOR, BCORL1, BCRP1, BDP1, BEND3, BEX4, BIRC3, BIRC5, BIRC7, BLM, BLVRB, BLZF1, BMAL1, BMAL2, BMI1, BMPR2, BMS1, BMX, BNC1, BNC2, BNIP3, BOD1, BOD1L1, BOP1, BORCS8-MEF2B, BPNT2, BPTF, BRAP, BRAT1, BRCA1, BRCA2, BRCC3, BRD2, BRD4, BRD7, BRD8, BRD9, BRF1, BRF2, BRIP1, BRMS1, BRMS1L, BRPF1, BRSK1, BRWD1, BTAF1, BTBD1, BTBD10, BTBD8, BTG1, BTRC, BUB1, BUB3, BUD13, BUD23, BUD31, BYSL, C11orf24, C11orf54, C16orf46, C17orf49, C19orf33, C19orf47, C19orf84, C1D, C1orf174, C1orf52, C2CD4A, C2orf42, C2orf49, C9orf78, CABIN1, CABYR, CACTIN, CACYBP, CAD, CADPS2, CALM1, CAMK2A, CAMK2B, CAMK2D, CAMK2G, CAMK4, CAMKK1, CAMKK2, CAMKMT, CAMP, CAND1, CAPG, CAPRIN2, CAPS, CAPS2, CARD8, CARF, CARM1, CARMIL1, CASC3, CASP14, CASP3, CASP6, CASP7, CASP8, CASP8AP2, CAST, CASZ1, CAVIN1, CAVIN2, CBFA2T2, CBFA2T3, CBFB, CBLB, CBR3, CBX1, CBX2, CBX3, CBX4, CBX5, CBX6, CBX7, CBX8, CBY1, CC2D1B, CCAR1, CCAR2, CCDC106, CCDC110, CCDC12, CCDC13, CCDC174, CCDC22, CCDC59, CCDC8, CCDC86, CCDC88B, CCDC91, CCDC92, CCKAR, CCN1, CCNA1, CCNA2, CCNB1, CCNC, CCND1, CCND2, CCND3, CCNDBP1, CCNE1, CCNE2, CCNG1, CCNH, CCNK, CCNL1, CCNL2, CCNT1, CCNT2, CCNY, CCR10, CCR4, CCT4, CCT8, CD180, CD2, CD274, CD2BP2, CD33, CD63, CDC14A, CDC14B, CDC16, CDC20, CDC23, CDC25A, CDC25B, CDC25C, CDC26, CDC27, CDC34, CDC40, CDC45, CDC5L, CDC6, CDC7, CDC73, CDCA2, CDCA4, CDCA5, CDCA7, CDCA7L, CDCA8, CDH1, CDH17, CDH5, CDH6, CDK1, CDK12, CDK13, CDK14, CDK19, CDK2, CDK20, CDK2AP1, CDK4, CDK5, CDK5R1, CDK5RAP1, CDK6, CDK7, CDK8, CDK9, CDKL1, CDKL2, CDKL5, CDKN1A, CDKN1B, CDKN2A, CDKN2AIP, CDKN2D, CDS1, CDT1, CDX2, CEBPA, CEBPB, CEBPD, CEBPE, CEBPG, CELF1, CELF2, CELF4, CELSR1, CEMP1, CENPA, CENPB, CENPC, CENPF, CENPH, CENPI, CENPK, CENPL, CENPM, CENPN, CENPO, CENPP, CENPQ, CENPS, CENPT, CENPU, CENPV, CENPW, CENPX, CEP131, CEP152, CEP162, CEP164, CEP19, CEP20, CEP68, CERKL, CERT1, CETN2, CFAP20, CFAP45, CFAP68, CGAS, CGGBP1, CGRRF1, CHAF1B, CHAMP1, CHCHD1, CHD1, CHD1L, CHD3, CHD4, CHD5, CHD6, CHD7, CHD8, CHD9, CHEK1, CHEK2, CHERP, CHL1, CHML, CHMP1A, CHMP1B, CHMP7, CHP2, CHRNA2, CHST2, CHTF18, CHTF8, CHTOP, CHUK, CIAO2A, CIAO2B, CIAPIN1, CIB1, CIC, CIITA, CIPC, CIRBP, CITED1, CITED2, CITED4, CIZ1, CKLF, CKS1B, CLASRP, CLCA2, CLIC2, CLINT1, CLK2, CLK3, CLNS1A, CLOCK, CLP1, CLPX, CLSPN, CLUAP1, CMAS, CMIP, CMKLR2, CMPK1, CMPK2, CMTM8, CMTR1, CNDP2, CNOT2, CNTLN, COA6, COA7, COG5, COIL, COMMD1, COMMD10, COMMD5, COMMD8, COMMD9, COP1, COPE, COPRS, COPS2, COPS3, COPS4, COPS5, COPS6, COPS7A, COPS7B, COPS8, COPS9, COX15, COX4I1, CPEB1, CPEB3, CPN1, CPNE1, CPNE3, CPSF1, CPSF2, CPSF3, CPSF4, CPSF6, CPSF7, CPT2, CRABP2, CRCP, CREB1, CREB3, CREB3L1, CREB3L2, CREB3L3, CREB3L4, CREBBP, CREBRF, CREBZF, CRKL, CRNKL1, CRTC1, CRTC2, CRTC3, CRYAA, CRYAB, CSE1L, CSF1R, CSN2, CSN3, CSNK1D, CSNK1E, CSNK2A1, CSNK2A2, CSNK2A3, CSNK2B, CSPG4, CSRP3, CSTA, CSTF1, CSTF2, CSTF2T, CSTF3, CTBP1, CTC1, CTCF, CTCFL, CTDP1, CTDSP1, CTDSP2, CTDSPL2, CTNNB1, CTNNBIP1, CTNNBL1, CTR9, CTSC, CTSK, CTSO, CUEDC2, CUL1, CUL2, CUL3, CUL4A, CUL4B, CUTC, CUX1, CWC15, CWC22, CWC25, CWC27, CWF19L2, CXADR, CXCR2, CXXC1, CXXC5, CYB5RL, CYTH3, CYTIP, DACH1, DACT1, DAG1, DAGLB, DAP3, DAPK3, DARS2, DAXX, DAZAP1, DBF4, DBF4B, DBR1, DCAF1, DCAF10, DCAF11, DCAF13, DCAF16, DCAF17, DCAF4, DCAF5, DCAF6, DCAF7, DCAF8, DCANP1, DCK, DCLRE1A, DCLRE1B, DCLRE1C, DCP2, DCPS, DCTN5, DCTPP1, DCUN1D1, DCUN1D3, DDA1, DDB1, DDB2, DDI2, DDX1, DDX11, DDX17, DDX19A, DDX19B, DDX20, DDX21, DDX23, DDX28, DDX39A, DDX39B, DDX3X, DDX3Y, DDX41, DDX42, DDX46, DDX47, DDX49, DDX5, DDX52, DDX53, DDX54, DDX55, DEAF1, DECR1, DEDD2, DEF6, DEK, DENND1C, DENND2C, DENND2D, DENND4B, DERA, DERPC, DFFA, DFFB, DGCR8, DGKE, DHODH, DHRS2, DHX15, DHX16, DHX33, DHX35, DHX36, DHX37, DHX38, DHX8, DHX9, DIMT1, DIS3, DKC1, DLST, DLX1, DLX4, DMAP1, DMC1, DMP1, DMTF1, DNA2, DNAJB1, DNAJB4, DNAJB6, DNAJC11, DNAJC2, DNAJC7, DNAJC8, DNAJC9, DND1, DNLZ, DNMT1, DNMT3A, DNMT3B, DNTT, DNTTIP1, DNTTIP2, DOC2A, DOCK1, DOCK10, DOK7, DOT1L, DPEP1, DPF1, DPF2, DPF3, DPH1, DPH3, DPPA2, DPPA4, DPY30, DR1, DRG1, DRG2, DROSHA, DSCC1, DSN1, DST, DTL, DTNA, DTX1, DTX2, DTX3L, DTX4, DUSP10, DUSP11, DUSP12, DUSP16, DUSP18, DUSP2, DUSP23, DUSP26, DUSP3, DUSP4, DUSP5, DUSP6, DUSP7, DUT, DUX4, DUXA, DUXB, DVL2, DXO, DYRK1A, DYRK1B, DYRK2, DYRK3, DZIP1, E2F1, E2F2, E2F3, E2F4, E2F5, E2F6, E2F7, E2F8, E4F1, EAF1, EAF2, EAPP, ECD, ECPAS, ECSCR, ECSIT, ECT2, EDC4, EDF1, EED, EEF1AKMT2, EEF1AKMT3, EEF1D, EEF1E1, EFCAB6, EFTUD2, EGLN2, EGLN3, EGR1, EGR2, EGR3, EGR4, EHBP1, EHF, EHMT1, EHMT2, EID1, EID2, EID2B, EID3, EIF1AD, EIF2AK2, EIF3A, EIF3E, EIF3L, EIF4A3, EIF6, ELAC1, ELAC2, ELAVL1, ELF1, ELF2, ELF3, ELF4, ELK1, ELK3, ELK4, ELL, ELL2, ELL3, ELOA, ELOA2, ELOB, ELOC, ELP2, ELP4, ELP5, EMD, EME1, EMG1, EMSY, EN2, ENC1, ENSA, ENY2, EOMES, EP300, EP400, EPAS1, EPB41L2, EPB41L5, EPC1, EPHA3, EPHA6, EPHB2, EPM2A, EPN3, ERBB2, ERBB4, ERCC1, ERCC2, ERCC3, ERCC4, ERCC5, ERCC6, ERCC6L2, ERCC8, ERF, ERG, ERGIC1, ESCO1, ESCO2, ESF1, ESR1, ESR2, ESRP1, ESRP2, ESRRA, ESRRB, ESRRG, ETAA1, ETHE1, ETS1, ETS2, ETV3, ETV4, ETV5, ETV7, EVX1, EWSR1, EXO1, EXO5, EXOSC1, EXOSC10, EXOSC2, EXOSC3, EXOSC4, EXOSC5, EXOSC6, EXOSC7, EXOSC8, EXOSC9, EXTL2, EYA1, EYA2, EYA3, EZH1, EZH2, EZHIP, FAAP100, FAAP20, FAAP24, FABP1, FABP5, FAF1, FAHD1, FAM111A, FAM114A1, FAM124B, FAM131B, FAM193B, FAM200C, FAM20B, FAM20C, FAM217B, FAM222B, FAM32A, FAM50A, FAM50B, FAM76A, FAM98B, FAM9B, FAN1, FANCA, FANCB, FANCC, FANCD2, FANCE, FANCF, FANCG, FANCI, FANCL, FANCM, FANK1, FASTKD3, FAU, FBL, FBLL1, FBXL17, FBXO11, FBXO3, FBXO32, FBXO5, FBXO7, FBXW7, FCF1, FCHO1, FDPS, FEM1B, FEM1C, FEN1, FERMT2, FEZF1, FGF1, FHL2, FHOD1, FIGNL1, FIP1L1, FIRRM, FKBP4, FKBP5, FKRP, FLI1, FLII, FLT4, FLYWCH1, FMR1, FNBP4, FOS, FOSB, FOSL1, FOSL2, FOXA1, FOXA2, FOXA3, FOXC1, FOXC2, FOXD3, FOXF2, FOXG1, FOXJ2, FOXK1, FOXK2, FOXL2, FOXM1, FOXN2, FOXO1, FOXO3, FOXO4, FOXO6, FOXP1, FOXP3, FOXR2, FRK, FRMD7, FRMD8, FSBP, FSTL3, FTO, FTSJ3, FUBP1, FUBP3, FUS, FUT10, FYTTD1, FZD10, FZR1, GABPA, GABPB1, GABPB2, GABRA5, GADD45A, GADD45GIP1, GAR1, GATA1, GATA2, GATA3, GATA4, GATA5, GATA6, GATAD1, GATAD2A, GATAD2B, GBP2, GCAT, GCC2, GCFC2, GCH1, GCHFR, GCK, GCKR, GCNA, GDF11, GEMIN2, GEMIN4, GEMIN5, GEMIN6, GEMIN7, GEMIN8, GEN1, GET3, GET4, GFI1B, GFRAL, GGA1, GGPS1, GID8, GIMAP2, GINS1, GINS2, GINS3, GINS4, GIT2, GJA1, GJB4, GJC1, GLDC, GLI1, GLI2, GLI3, GLIS2, GLO1, GLRX2, GLYR1, GMEB1, GMEB2, GMIP, GMNN, GNAI1, GNAI2, GNAI3, GNL3L, GOLGA3, GOLGA4, GON4L, GON7, GORAB, GOSR2, GPATCH1, GPATCH3, GPATCH4, GPC1, GPER1, GPKOW, GPN1, GPR107, GPR50, GPR63, GPRC5B, GPS1, GPS2, GPSM1, GRAP, GRAP2, GRB2, GREB1, GRHL1, GRHL2, GRHL3, GRIK2, GRIK5, GRIPAP1, GRPEL1, GRSF1, GRWD1, GSDMD, GSK3B, GTF2A1, GTF2A2, GTF2B, GTF2E1, GTF2E2, GTF2F1, GTF2F2, GTF2H1, GTF2H2, GTF2H3, GTF2H4, GTF2H5, GTF2I, GTF2IRD1, GTF3A, GTF3C1, GTF3C2, GTF3C3, GTF3C4, GTF3C5, GTF3C6, GTPBP4, GTSE1, GYPA, GZF1, H1-0, H1-1, H1-10, H1-5, H2AC6, H2AX, H2BC1, H2BC10, H2BC11, H2BC12, H2BC12L, H2BC13, H2BC14, H2BC15, H2BC17, H2BC18, H2BC21, H2BC26, H2BC3, H2BC4, H2BC5, H2BC6, H2BC7, H2BC8, H2BC9, H3-3A, H3-3B, H3-4, H3-5, H3-7, H3C1, H3C10, H3C11, H3C12, H3C13, H3C14, H3C15, H3C2, H3C3, H3C4, H3C6, H3C7, H3C8, H3Y1, H3Y2, H4C1, H4C11, H4C12, H4C13, H4C14, H4C15, H4C16, H4C2, H4C3, H4C4, H4C5, H4C6, H4C8, H4C9, HACL1, HADH, HAND1, HAP1, HASPIN, HAT1, HBP1, HCFC1, HCFC1R1, HCFC2, HDAC1, HDAC10, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9, HDGF, HDGFL3, HEATR1, HELB, HELZ2, HEMGN, HEPACAM2, HERC2, HERC6, HES1, HES5, HEXIM1, HEXIM2, HEY1, HEY2, HEYL, HFE, HIC1, HIC2, HIF1A, HIF1AN, HIF3A, HIGD1A, HIKESHI, HILPDA, HINFP, HINT1, HIPK1, HIPK2, HIRA, HIRIP3, HIVEP1, HIVEP2, HJURP, HLF, HLTF, HMBOX1, HMG20B, HMGA1, HMGA2, HMGB1, HMGB2, HMGN1, HMGN3, HMGN5, HMOX1, HMX3, HNF1B, HNF4A, HNF4G, HNMT, HNRNPA0, HNRNPA1, HNRNPA2B1, HNRNPA3, HNRNPAB, HNRNPC, HNRNPD, HNRNPDL, HNRNPF, HNRNPH1, HNRNPH2, HNRNPH3, HNRNPK, HNRNPL, HNRNPM, HNRNPR, HNRNPU, HNRNPUL1, HNRNPUL2, HOMEZ, HORMAD2, HOXA10, HOXA11, HOXA13, HOXA2, HOXA3, HOXA4, HOXA6, HOXA7, HOXA9, HOXB1, HOXB13, HOXB2, HOXB3, HOXB4, HOXB5, HOXB7, HOXB8, HOXB9, HOXC10, HOXC11, HOXC4, HOXC5, HOXC6, HOXC8, HOXC9, HOXD1, HOXD10, HOXD11, HOXD13, HOXD3, HOXD4, HOXD9, HPGD, HPGDS, HPSE, HR, HRAS, HSBP1, HSCB, HSD11B1L, HSF1, HSF2, HSF2BP, HSFY1, HSFY2, HSP90AA1, HSP90AB1, HSPA1A, HSPA1B, HSPA1L, HSPA8, HSPB7, HSPB8, HSPB9, HSPH1, HTATSF1, HTR2B, HTT, HUS1, HUWE1, HYPK, IARS1, IBTK, ICE1, ICE2, ID1, ID2, ID3, ID4, IER2, IER5, IFFO1, IFI16, IFI35, IFITM2, IGF2BP1, IGFLR1, IGHMBP2, IK, IKBKE, IKBKG, IKZF1, IKZF3, IKZF4, IL15, IL17RD, IL1RN, IL2RG, IL33, IL36G, IL37, IL4R, IL7R, ILF2, ILF3, IMP3, IMP4, INAVA, INCA1, INCENP, ING2, ING3, ING4, ING5, INIP, INKA2, INO80, INO80B, INO80C, INO80D, INO80E, INPP4A, INSM1, INTS1, INTS10, INTS11, INTS12, INTS13, INTS14, INTS2, INTS3, INTS4, INTS5, INTS6, INTS7, INTS8, INTS9, IP6K1, IP6K2, IPMK, IPO11, IPO5, IPO7, IPO8, IPPK, IQCB1, IQSEC3, IRAK1, IRF1, IRF2, IRF2BP1, IRF2BP2, IRF2BPL, IRF3, IRF4, IRF5, IRF7, IRF8, IRF9, IRS1, ISG15, ISG20, ISY1, ITCH, ITFG2, ITGB1BP1, ITGB3, ITGB3BP, ITGB6, ITPA, ITPR2, ITPR3, ITPRID2, IVD, IVNS1ABP, IWS1, IYD, JADE1, JADE2, JADE3, JAK2, JAML, JARID2, JAZF1, JMJD1C, JMJD6, JMY, JPH1, JUN, JUNB, JUND, KALRN, KANSL1, KANSL2, KANSL3, KARS1, KAT14, KAT2A, KAT2B, KAT5, KAT6A, KAT6B, KAT7, KAT8, KATNBL1, KAZN, KCNG3, KCNG4, KCTD1, KCTD10, KCTD13, KDM1A, KDM1B, KDM2A, KDM2B, KDM3A, KDM3B, KDM4A, KDM4B, KDM4C, KDM4D, KDM4E, KDM5A, KDM5B, KDM5C, KDM5D, KDM6A, KDM6B, KDM7A, KDM8, KEAP1, KEL, KHDC4, KHDRBS1, KHDRBS2, KHDRBS3, KHSRP, KIF18B, KIF20A, KIF20B, KIF23, KIF2A, KIF4A, KIF4B, KIN, KLC2, KLF1, KLF11, KLF12, KLF15, KLF3, KLF4, KLF5, KLF6, KLF7, KLF8, KLF9, KLHDC10, KLHDC2, KLHDC3, KLHL41, KLHL7, KLHL8, KLK6, KLLN, KMT2A, KMT2B, KMT2C, KMT2D, KMT2E, KMT5A, KMT5B, KMT5C, KNL1, KPNA1, KPNA2, KPNA3, KPNA4, KPNA5, KPNA6, KPNA7, KPNB1, KRR1, KRT8, KYNU, L3MBTL1, L3MBTL2, L3MBTL3, LAGE3, LANCL2, LARP7, LAS1L, LCMT1, LCOR, LDB1, LDB2, LDOC1, LEF1, LENG1, LEO1, LETMD1, LEUTX, LGALS13, LGALS14, LGALS3, LGR5, LIG1, LIG3, LIG4, LIMD1, LIMD2, LIN28B, LIN37, LIN52, LIN54, LIN9, LIPA, LITAF, LMCD1, LMNA, LMNB1, LMO1, LMO2, LNPK, LONP1, LORICRIN, LOXL2, LPIN1, LRIF1, LRPPRC, LRRC32, LRRC45, LRRC7, LRWD1, LSG1, LSM10, LSM11, LSM2, LSM3, LSM4, LSM5, LSM6, LSM7, LSM8, LTA4H, LTB4R2, LTV1, LUC7L3, LYAR, LYL1, LYPLA1, LYPLA2, LYRM1, LYSMD1, MACROD1, MACROD2, MACROH2A1, MACROH2A2, MAD2L1, MAD2L1BP, MAD2L2, MAEA, MAF1, MAFF, MAFG, MAFK, MAGEA10, MAGEA11, MAGEC2, MAGED2, MAGEE1, MAGI1, MAGOH, MAGOHB, MAL, MAML1, MAML2, MAML3, MAMLD1, MAN2B1, MAN2C1, MAP1S, MAP2K3, MAP2K6, MAP3K14, MAP3K2, MAPK1, MAPK10, MAPK11, MAPK12, MAPK14, MAPK3, MAPK4, MAPK6, MAPK7, MAPK8, MAPK9, MAPKAP1, MAPKAPK2, MAPKAPK3, MAPKAPK5, MAPKBP1, MARK2, MAS1L, MASP1, MASTL, MAU2, MAX, MBD1, MBD2, MBD3, MBD4, MBD5, MBD6, MBIP, MBNL1, MBNL2, MBNL3, MCC, MCL1, MCM10, MCM2, MCM3, MCM3AP, MCM4, MCM5, MCM6, MCM7, MCM8, MCMBP, MCOLN1, MCPH1, MCRS1, MCTP2, MCUB, MDC1, MDM2, MDM4, MDN1, MEAF6, MEAK7, MECOM, MECP2, MED1, MED10, MED11, MED12, MED13, MED13L, MED14, MED15, MED16, MED17, MED18, MED19, MED20, MED21, MED22, MED23, MED24, MED25, MED26, MED27, MED28, MED29, MED30, MED31, MED4, MED6, MED7, MED8, MED9, MEF2A, MEF2B, MEF2C, MEF2D, MEFV, MEN1, MET, METTL1, METTL14, METTL17, METTL21A, METTL22, METTL3, MEX3B, MFAP1, MFAP3L, MGA, MGMT, MICAL3, MICOS13, MID1, MIDEAS, MIER1, MIER2, MIER3, MIF, MINDY1, MINDY2, MINDY3, MIOS, MIS18A, MIS18BP1, MITF, MIXL1, MKI67, MKLN1, MKNK1, MKNK2, MLH1, MLH3, MLLT1, MLLT10, MLLT11, MLLT3, MLST8, MLX, MLXIPL, MMS19, MMS22L, MNAT1, MNDA, MNT, MNX1, MOB2, MOCS2, MORC2, MORC3, MORC4, MORF4L1, MORF4L2, MPG, MPHOSPH10, MPHOSPH6, MPHOSPH8, MPIG6B, MPLKIP, MPO, MPP2, MPP7, MPPE1, MRE11, MRFAP1, MRGBP, MRI1, MRNIP, MRPL10, MRPL2, MRPL44, MRPL46, MRPL52, MRPL58, MRPS15, MRPS18B, MRPS26, MRTFA, MS4A1, MSC, MSH2, MSH3, MSH6, MSL1, MSL2, MSL3, MSRA, MSRB1, MST1, MSX1, MTA1, MTA2, MTA3, MTAP, MTF1, MTF2, MTG1, MTIF2, MTOR, MTPAP, MTREX, MTRR, MUS81, MUTYH, MXD1, MXD4, MXI1, MYB, MYBBP1A, MYBL1, MYBL2, MYC, MYCBP, MYCBP2, MYCL, MYCN, MYCT1, MYF5, MYF6, MYG1, MYNN, MYO16, MYO1C, MYO1G, MYO6, MYOD1, MYOG, MYPN, MYRF, MYSM1, MYT1, MZF1, MZT2A, MZT2B, NAA11, NAA35, NAA38, NAA40, NAALADL2, NAB1, NAB2, NABP1, NABP2, NACC1, NAF1, NAIF1, NANOG, NANOGP8, NANOS3, NAPEPLD, NARF, NARS2, NASP, NAT10, NAV2, NBN, NBR1, NCAPD2, NCAPD3, NCAPG2, NCAPH, NCAPH2, NCBP1, NCBP2, NCL, NCOA1, NCOA2, NCOA3, NCOA5, NCOA6, NCOR1, NCOR2, NDC80, NDN, NDOR1, NDUFA13, NDUFAB1, NDUFB4, NDUFB5, NDUFB6, NDUFS2, NECAB1, NEDD1, NEDD4L, NEDD8, NEDD9, NEIL1, NEIL2, NEIL3, NEK1, NEK11, NEK2, NEK6, NEK7, NELFA, NELFB, NELFCD, NELFE, NEO1, NEUROD1, NEXMIF, NF1, NFAT5, NFATC1, NFATC2, NFATC3, NFE2, NFE2L1, NFE2L2, NFIA, NFIB, NFIC, NFIX, NFKB1, NFKB2, NFKBIA, NFKBIE, NFKBIL1, NFRKB, NFS1, NFU1, NFX1, NFYA, NFYB, NFYC, NGDN, NGFR, NGRN, NHEJ1, NHLRC1, NHP2, NIBAN2, NICN1, NIFK, NIN, NIP7, NIPBL, NISCH, NKAP, NKRF, NKX2-1, NKX2-2, NKX2-5, NKX3-1, NLE1, NLK, NLRP1, NLRP10, NMD3, NMI, NMNAT1, NMRAL1, NMRK2, NOB1, NOC2L, NOC3L, NOC4L, NOCT, NOL11, NOL4L, NOL6, NOL9, NOLC1, NONO, NOP10, NOP14, NOP16, NOP2, NOP53, NOP56, NOP58, NOS1, NOS2, NOS3, NOSIP, NOTCH1, NOTCH2, NOTCH3, NOTCH4, NOVA1, NPAP1, NPAS2, NPAS3, NPAS4, NPAT, NPHP4, NPLOC4, NPM1, NPM2, NPM3, NQO2, NR0B1, NR0B2, NR1D1, NR1D2, NR1H2, NR1H3, NR1H4, NR1I2, NR1I3, NR2C1, NR2C2, NR2C2AP, NR2E1, NR2E3, NR2F1, NR2F2, NR2F6, NR3C1, NR3C2, NR4A1, NR4A2, NR4A3, NR5A1, NR5A2, NR6A1, NRBF2, NRBP1, NRDE2, NRF1, NRG1, NRIP1, NRL, NSD1, NSD2, NSD3, NSL1, NSMCE1, NSMCE2, NSMCE3, NSMCE4A, NSMF, NSRP1, NSUN2, NSUN5, NT5C3A, NT5E, NTHL1, NTMT1, NTN1, NUAK1, NUB1, NUCKS1, NUDC, NUDCD1, NUDT16, NUDT21, NUDT22, NUF2, NUFIP1, NUFIP2, NUMA1, NUP153, NUP214, NUP35, NUP37, NUP42, NUP43, NUP50, NUP62, NUP85, NUP88, NUP98, NUPR1, NUTF2, NVL, NXF1, NXF2, NXF2B, NXF3, NXT1, NXT2, OARD1, OAS1, OAS2, OAS3, OASL, OAT, OAZ3, ODAM, OGFOD1, OGG1, OGT, OIP5, OLFM2, OLFM4, OLR1, ONECUT2, OPA1, OPN1SW, OPRK1, OPTN, OR13C2, OR13C5, OR13C9, ORC1, ORC2, ORC3, ORC4, ORC5, ORC6, OSBP, OSBPL11, OSBPL7, OSGEP, OTP, OTUB1, P3H2, P4HA2, PABIR1, PABPN1, PADI1, PADI3, PADI4, PAF1, PAGR1, PAK1, PAK5, PAK6, PALB2, PALM, PAM, PAN2, PAPOLA, PAPOLG, PARG, PARK7, PARM1, PARP1, PARP11, PARP2, PARP3, PARP4, PARP9, PARPBP, PASK, PATZ1, PAX2, PAX3, PAX4, PAX5, PAX6, PAX8, PAX9, PAXIP1, PAXX, PBOV1, PBRM1, PBX1, PBXIP1, PCBD1, PCBP1, PCBP2, PCDH1, PCF11, PCGF1, PCGF2, PCGF3, PCGF5, PCGF6, PCIF1, PCLAF, PCM1, PCNA, PCNP, PCSK2, PDCD11, PDCD6, PDCD7, PDCL3, PDE4A, PDE9A, PDGFRA, PDHB, PDIK1L, PDK2, PDLIM7, PDS5A, PDS5B, PDX1, PDXK, PDZD7, PEA15, PEDS1-UBE2V1, PEG10, PELP1, PER1, PER2, PES1, PEX11B, PEX19, PEX3, PFKFB2, PFKFB3, PGBD5, PGR, PGRMC2, PHACTR3, PHAX, PHB1, PHC1, PHC2, PHC3, PHF1, PHF10, PHF11, PHF12, PHF13, PHF19, PHF2, PHF20, PHF20L1, PHF21A, PHF23, PHF5A, PHF6, PHF7, PHF8, PHLDA1, PHLPP2, PHOX2B, PHPT1, PIAS1, PIAS2, PIAS3, PIAS4, PIDD1, PIF1, PIK3C2A, PIK3C2B, PIK3CB, PIM1, PIMREG, PIN1, PIN4, PINX1, PIP4K2A, PIP4K2B, PIP4K2C, PIP4P1, PIP5K1A, PIP5K1C, PIR, PITPNC1, PITX2, PIWIL4, PKD2, PKMYT1, PKN1, PKN2, PKNOX2, PKP1, PKP2, PKP3, PLA2G15, PLA2G4C, PLAC8, PLAG1, PLAGL1, PLCD3, PLCZ1, PLEKHA1, PLEKHA5, PLEKHA7, PLEKHA8, PLEKHG1, PLEKHH2, PLK1, PLK3, PLPPR1, PLRG1, PLSCR1, PLSCR2, PLXNA1, PM20D2, PMF1, PMF1-BGLAP, PML, PMM2, PMS2, PNISR, PNKP, PNN, PNO1, PNPLA2, PNRC2, POC5, POGK, POGLUT2, POGZ, POLA1, POLA2, POLB, POLD1, POLD2, POLD3, POLD4, POLDIP3, POLE, POLE2, POLE3, POLE4, POLH, POLI, POLK, POLL, POLM, POLN, POLQ, POLR1A, POLR1B, POLR1C, POLR1D, POLR1E, POLR1F, POLR1G, POLR1H, POLR2A, POLR2B, POLR2C, POLR2D, POLR2E, POLR2F, POLR2G, POLR2H, POLR2I, POLR2J, POLR2K, POLR2L, POLR3A, POLR3B, POLR3C, POLR3D, POLR3E, POLR3F, POLR3G, POLR3GL, POLR3H, POLR3K, POM121, POM121C, POMT2, POMZP3, POP1, POP4, POP5, POP7, POT1, POU1F1, POU2F1, POU2F2, POU2F3, POU3F1, POU3F2, POU3F3, POU3F4, POU4F1, POU4F2, POU4F3, POU5F1, POU5F1B, PPARA, PPARD, PPARG, PPARGC1A, PPARGC1B, PPHLN1, PPIB, PPID, PPIE, PPIG, PPIH, PPIL1, PPIL2, PPIL3, PPIL4, PPM1A, PPM1D, PPM1E, PPM1G, PPM1H, PPME1, PPP1CA, PPP1CB, PPP1R10, PPP1R12A, PPP1R12B, PPP1R13B, PPP1R13L, PPP1R8, PPP1R9B, PPP2R2A, PPP2R3B, PPP2R3C, PPP2R5C, PPP2R5D, PPP3CA, PPP3CB, PPP3R1, PPP4C, PPP4R2, PPP4R3A, PPP4R3B, PPP4R3C, PPP5C, PPP6C, PPP6R3, PPRC1, PPWD1, PQBP1, PRAC1, PRAME, PRC1, PRCC, PRDM1, PRDM12, PRDM14, PRDM15, PRDM16, PRDM2, PRDM5, PRDM8, PRDM9, PRDX3, PRELID1, PRG3, PRIM1, PRIM2, PRKAA1, PRKAA2, PRKAB1, PRKAB2, PRKACA, PRKACB, PRKACG, PRKAG1, PRKAG2, PRKAG3, PRKCA, PRKCB, PRKCD, PRKCI, PRKD2, PRKD3, PRKDC, PRKG1, PRKRA, PRKRIP1, PRKX, PRL, PRM1, PRM2, PRMT1, PRMT2, PRMT5, PRMT6, PRMT7, PRMT9, PROB1, PRODH, PRODH2, PRORP, PROX1, PRP4K, PRPF18, PRPF19, PRPF3, PRPF31, PRPF38A, PRPF4, PRPF40A, PRPF6, PRPF8, PRR13, PRR14, PRR7, PRRC2A, PRRX1, PSEN1, PSIP1, PSMA1, PSMA2, PSMA3, PSMA4, PSMA5, PSMA6, PSMA7, PSMB1, PSMB10, PSMB2, PSMB3, PSMB4, PSMB5, PSMB6, PSMB7, PSMB8, PSMB9, PSMC1, PSMC2, PSMC3, PSMC3IP, PSMC4, PSMC5, PSMC6, PSMD1, PSMD10, PSMD11, PSMD12, PSMD13, PSMD14, PSMD2, PSMD3, PSMD4, PSMD5, PSMD6, PSMD7, PSMD8, PSMD9, PSME1, PSME2, PSME3, PSME3IP1, PSME4, PSMF1, PSMG1, PSPC1, PSRC1, PTBP1, PTCD3, PTEN, PTGES3, PTHLH, PTK6, PTMA, PTMAP7, PTOV1, PTPA, PTPDC1, PTPN11, PTPN12, PTPN13, PTPN14, PTPN18, PTPN2, PTPN20, PTPN23, PTPN4, PTPN5, PTPN6, PTPN7, PTPN9, PTTG1IP, PUF60, PUM1, PUM3, PURB, PUS1, PWP2, PWWP2B, PWWP3A, PYCARD, PYDC2, PYGO1, PYGO2, PYHIN1, PYM1, QRICH1, QSOX2, RAB11FIP2, RAB11FIP3, RAB5A, RAC3, RACGAP1, RACK1, RAD1, RAD17, RAD18, RAD21, RAD23A, RAD23B, RAD50, RAD51, RAD51AP1, RAD51B, RAD51C, RAD51D, RAD52, RAD54L, RAD9A, RAD9B, RAE1, RAG1, RAG2, RAI1, RAI14, RALBP1, RALYL, RAN, RANBP2, RANBP3, RANBP9, RANGAP1, RANGRF, RAPGEF5, RARA, RARB, RARG, RARS1, RASGRP4, RASSF2, RAX, RB1, RBAK, RBBP4, RBBP5, RBBP7, RBBP8, RBBP9, RBFOX2, RBIS, RBL1, RBL2, RBM10, RBM11, RBM12, RBM12B, RBM14, RBM15, RBM15B, RBM17, RBM18, RBM19, RBM22, RBM24, RBM25, RBM3, RBM34, RBM39, RBM4, RBM42, RBM45, RBM48, RBM4B, RBM5, RBM7, RBM8A, RBMX, RBMX2, RBMXP1, RBMY1A1, RBMY1B, RBMY1D, RBMY1E, RBMY1F, RBMY1J, RBP1, RBP2, RBPJ, RBPMS, RBX1, RCC1, RCHY1, RCL1, RCOR1, RCOR3, RDH14, RECQL, RECQL4, RECQL5, REL, RELA, RELB, RELT, REPIN1, REPS1, RER, RERE, RERG, REST, REV1, REV3L, REXO1, REXO4, RFC1, RFC2, RFC3, RFC4, RFC5, RFFL, RFPL1, RFPL2, RFPL3, RFPL4A, RFPL4AL1, RFWD3, RFX1, RFX5, RFXANK, RGCC, RGS10, RGS12, RGS6, RHBDD2, RHNO1, RHOXF1, RIF1, RILPL1, RIMOC1, RING1, RIOK1, RIOK2, RIOX1, RIOX2, RIT2, RITA1, RLBP1, RLIM, RMI1, RMI2, RMND5A, RNASEH2A, RNASEH2B, RNASEK-C17orf49, RNF111, RNF112, RNF113A, RNF126, RNF13, RNF14, RNF146, RNF168, RNF169, RNF187, RNF2, RNF20, RNF208, RNF216, RNF34, RNF38, RNF4, RNF40, RNF7, RNF8, RNGTT, RNH1, RNMT, RNPC3, RNPS1, RO60, RORA, RORB, RORC, RP2, RPA1, RPA2, RPA3, RPA4, RPAIN, RPAP2, RPF2, RPGRIP1L, RPL11, RPL23, RPL26, RPL27, RPL27A, RPL5, RPL8, RPP14, RPP21, RPP25, RPP30, RPP38, RPP40, RPRD1A, RPRD1B, RPRD2, RPS10, RPS11, RPS12, RPS13, RPS14, RPS15, RPS15A, RPS16, RPS17, RPS18, RPS19, RPS19BP1, RPS2, RPS20, RPS21, RPS23, RPS24, RPS25, RPS26, RPS27, RPS27A, RPS28, RPS29, RPS3, RPS3A, RPS4X, RPS4Y1, RPS5, RPS6, RPS6KA1, RPS6KA2, RPS6KA3, RPS6KA4, RPS6KA5, RPS6KA6, RPS6KB1, RPS6KB2, RPS7, RPS8, RPS9, RPSA, RPTOR, RPUSD4, RRAGA, RRAGC, RRAGD, RRM2B, RRN3, RRP1B, RRP36, RRP7A, RRP8, RRP9, RRS1, RSC1A1, RSF1, RSL24D1, RTCA, RTCB, RTEL1, RTF1, RTRAF, RUBCN, RUNX1, RUNX1T1, RUNX2, RUNX3, RUVBL1, RUVBL2, RXRA, RXRB, RXRG, RXYLT1, RYBP, S100A1, S100A13, S100A4, S100B, S100P, S1PR1, SAAL1, SAE1, SAFB, SAFB2, SAG, SAGE1, SALL1, SALL4, SAMHD1, SAP130, SAP18, SAP30, SAP30BP, SAP30L, SAPCD2, SARNP, SART1, SART3, SASH1, SATB1, SATB2, SBDS, SCAF11, SCAF4, SCAF8, SCAI, SCAPER, SCG2, SCHIP1, SCMH1, SCN1A, SCN5A, SCNN1G, SCOC, SCP2, SCRIB, SDAD1, SDCBP, SDCBP2, SDE2, SDHAF1, SDHB, SEC13, SEC14L1, SEC14L2, SECISBP2, SEM1, SENP1, SENP2, SENP3, SENP5, SENP6, SEPTIN2, SEPTIN4, SERGEF, SERPINB10, SERPINB13, SERPINB9, SERTAD2, SESN1, SET, SETBP1, SETD1A, SETD1B, SETD2, SETD3, SETD5, SETD6, SETD7, SETD9, SETDB1, SETDB2, SETSIP, SETX, SF1, SF3A1, SF3A2, SF3A3, SF3B1, SF3B2, SF3B3, SF3B4, SF3B5, SF3B6, SFMBT1, SFMBT2, SFPQ, SFR1, SFXN4, SGF29, SGK1, SGK2, SGMS2, SGO1, SGO2, SH3BGRL2, SH3BP5, SH3D19, SH3D21, SH3GLB2, SH3RF2, SHB, SHFL, SHLD2, SHLD3, SHMT1, SHOC2, SHOX, SHPRH, SHQ1, SHROOM4, SIAH2, SIAH3, SIM2, SIN3A, SIN3B, SIPA1L3, SIRT1, SIRT3, SIRT6, SIRT7, SIVA1, SIX1, SIX5, SKAP1, SKAP2, SKI, SKIC3, SKIC8, SKIL, SKP1, SKP2, SLA, SLA2, SLBP, SLC13A5, SLC16A7, SLC17A2, SLC25A10, SLC26A11, SLC2A11, SLC30A5, SLC34A1, SLC35A2, SLC35C2, SLC35F6, SLC39A7, SLC3A2, SLC40A1, SLC44A1, SLC4A1AP, SLC5A12, SLC7A14, SLC8A1, SLC9A1, SLF1, SLF2, SLFN11, SLTM, SLU7, SLX1A, SLX1B, SLX4, SMAD1, SMAD2, SMAD3, SMAD4, SMAD5, SMAD6, SMAD7, SMAD9, SMAGP, SMAP2, SMARCA1, SMARCA2, SMARCA4, SMARCA5, SMARCAD1, SMARCAL1, SMARCB1, SMARCC1, SMARCC2, SMARCD1, SMARCD2, SMARCD3, SMARCE1, SMC1A, SMC1B, SMC2, SMC3, SMC4, SMC5, SMC6, SMCR8, SMDT1, SMG1, SMN1, SMN2, SMNDC1, SMO, SMOX, SMU1, SMUG1, SMURF1, SMURF2, SMYD2, SMYD3, SNAI1, SNAI2, SNAP23, SNAPC1, SNAPC2, SNAPC3, SNAPC4, SNAPC5, SNCAIP, SNF8, SNIP1, SNRNP200, SNRNP25, SNRNP27, SNRNP35, SNRNP40, SNRNP48, SNRNP70, SNRPA, SNRPA1, SNRPB, SNRPB2, SNRPC, SNRPD1, SNRPD2, SNRPD3, SNRPE, SNRPF, SNRPG, SNRPN, SNTB2, SNTG2, SNU13, SNUPN, SNURF, SNW1, SNX20, SOCS1, SOD1, SOX10, SOX11, SOX12, SOX13, SOX17, SOX2, SOX3, SOX30, SOX4, SOX6, SOX7, SOX9, SP1, SP100, SP110, SP2, SP3, SP4, SPAST, SPATA13, SPATA2, SPATA24, SPATS2L, SPC24, SPDYA, SPECC1, SPEN, SPESP1, SPHK1, SPHK2, SPI1, SPIDR, SPIN1, SPIN2A, SPIN2B, SPIN3, SPIN4, SPIRE1, SPMIP6, SPN, SPOP, SPPL2B, SPR, SPRED1, SPRTN, SPRY1, SPTY2D1, SQSTM1, SRA1, SRC, SRCAP, SREBF1, SREBF2, SREK1, SRF, SRI, SRPK1, SRPK2, SRRM1, SRRM2, SRRT, SRSF1, SRSF10, SRSF11, SRSF12, SRSF2, SRSF3, SRSF4, SRSF5, SRSF6, SRSF7, SRSF8, SRSF9, SRY, SS18, SS18L1, SSRP1, SSU72, ST6GALNAC3, STAC3, STAG1, STAG2, STAG3, STAM2, STAMBP, STAP1, STARD3, STAT1, STAT2, STAT3, STAT4, STAT5A, STAT5B, STAT6, STEAP4, STEEP1, STH, STIL, STING1, STK11, STK16, STK17B, STK24, STK3, STK35, STK39, STK4, STK40, STN1, STOX1, STRADA, STRN3, STUB1, STX12, STX1B, STX6, STXBP1, STYX, SUB1, SUDS3, SUFU, SUGP1, SUGP2, SUMO1, SUMO2, SUMO3, SUPT16H, SUPT3H, SUPT4H1, SUPT5H, SUPT6H, SUPT7L, SURF2, SURF6, SUV39H1, SUV39H2, SUZ12, SYAP1, SYCE2, SYCP2L, SYF2, SYMPK, SYNCRIP, SYNE1, SYNE2, SYNPO2, SYVN1, TAB2, TACC2, TADA1, TADA2A, TADA2B, TADA3, TAF1, TAF10, TAF11, TAF12, TAF13, TAF15, TAF1A, TAF1B, TAF1C, TAF1D, TAF1L, TAF2, TAF3, TAF4, TAF4B, TAF5, TAF6, TAF6L, TAF7, TAF8, TAF9, TAF9B, TAL1, TAOK2, TAPT1, TARBP2, TARDBP, TASL, TASOR, TASOR2, TATDN1, TATDN2, TBC1D14, TBC1D2, TBK1, TBL1X, TBL1XR1, TBL1Y, TBL3, TBP, TBRG1, TBX18, TBX2, TBX3, TBX5, TBXT, TCEA1, TCEA2, TCEAL1, TCEAL7, TCERG1, TCF12, TCF20, TCF21, TCF3, TCF4, TCF7, TCF7L1, TCF7L2, TCIM, TCL1A, TCOF1, TDG, TDP1, TDP2, TDRD3, TEAD1, TEAD2, TEAD3, TEAD4, TEC, TECPR1, TEN1, TENT4A, TENT5C, TEP1, TERF1, TERF2, TERF2IP, TERT, TESC, TESK2, TET2, TEX10, TFAP2A, TFAP2B, TFAP2C, TFAP4, TFCP2, TFDP1, TFDP2, TFE3, TFEC, TFIP11, TFPT, TGIF1, TGIF2, TGOLN2, TGS1, THAP1, THAP11, THAP4, THAP5, THAP7, THOC1, THOC2, THOC3, THOC5, THOC6, THOC7, THRA, THRAP3, THRB, THRSP, THUMPD1, TIA1, TIAL1, TICRR, TIMELESS, TIMM17A, TIMM50, TIMMDC1, TINF2, TIPIN, TJP2, TJP3, TKT, TLE1, TLE2, TLE3, TLE4, TLK1, TLK2, TLX3, TMA16, TMEM192, TMEM250, TMEM70, TMEM92, TMPRSS2, TNFAIP8, TNFAIP8L3, TNFRSF8, TNFSF13, TNIK, TNIP1, TNIP2, TNKS, TNRC18, TNRC6A, TNRC6B, TNRC6C, TOE1, TONSL, TOP1, TOP1MT, TOP2A, TOP2B, TOP3A, TOPBP1, TOPORS, TOX2, TOX3, TP53, TP53BP1, TP53BP2, TP53INP1, TP53RK, TP63, TP73, TPP1, TPP2, TPR, TPRN, TPRX1, TPRX2, TPRXL, TPX2, TRA2A, TRA2B, TRAF2, TRAF4, TRAIP, TRAM1, TRAP1, TRAPPC12, TRAPPC2, TRAPPC2B, TRDMT1, TRDN, TRERF1, TRIAP1, TRIB3, TRIM11, TRIM21, TRIM22, TRIM24, TRIM25, TRIM27, TRIM28, TRIM33, TRIM34, TRIM38, TRIM45, TRIM5, TRIM58, TRIM6, TRIM65, TRIM68, TRIP10, TRIP12, TRIP4, TRMT1, TRMT10A, TRMT10B, TRMT10C, TRMT112, TRMT6, TRMT61A, TRNT1, TRPM4, TRPS1, TRRAP, TSEN15, TSEN2, TSEN34, TSEN54, TSFM, TSHZ3, TSN, TSNAX, TSPAN1, TSPAN2, TSPAN5, TSPYL1, TSPYL2, TSR1, TTBK1, TTC3, TTC4, TTC5, TTF1, TUBD1, TUBGCP2, TULP3, TUT1, TUT7, TWIST1, TWIST2, TXK, TXN, TXNL4A, TXNL4B, TXNRD1, TXNRD3, U2AF1, U2AF1L4, U2AF2, U2SURP, UACA, UAP1, UBA1, UBA2, UBA52, UBA7, UBASH3A, UBB, UBC, UBD, UBE2A, UBE2B, UBE2C, UBE2D1, UBE2D2, UBE2D3, UBE2E1, UBE2E3, UBE2I, UBE2L3, UBE2L6, UBE2M, UBE2N, UBE2O, UBE2QL1, UBE2S, UBE2T, UBE2V1, UBE2V2, UBE2W, UBE2Z, UBL4A, UBL5, UBLCP1, UBN1, UBN2, UBOX5, UBP1, UBQLN1, UBQLN4, UBR4, UBR5, UBTF, UBXN1, UBXN7, UBXN8, UCHL1, UCHL3, UCHL5, UFD1, UGDH, UHMK1, UHRF1, UHRF2, UIMC1, UNG, UPF1, UPF3A, UPF3B, UPP1, UPRT, UQCC3, UQCRC2, URI1, UROD, USB1, USF1, USF2, USP1, USP10, USP11, USP12, USP13, USP15, USP16, USP2, USP21, USP22, USP24, USP26, USP28, USP3, USP31, USP33, USP36, USP37, USP39, USP42, USP43, USP44, USP45, USP47, USP48, USP49, USP7, UTP11, UTP14A, UTP15, UTP18, UTP20, UTP25, UTP3, UTP4, UTP6, UTRN, UTY, UVSSA, UXT, VCP, VDR, VENTX, VEZF1, VEZT, VGLL1, VHL, VIRMA, VPS25, VPS37A, VPS54, VPS72, VRK1, VRK3, VSIG10L, VTA1, VWA3B, VWA5A, WAC, WAPL, WARS2, WASHC4, WASHC5, WBP11, WBP2, WBP4, WDFY3, WDHD1, WDR12, WDR13, WDR18, WDR20, WDR26, WDR27, WDR3, WDR33, WDR36, WDR4, WDR43, WDR46, WDR48, WDR5, WDR55, WDR70, WDR74, WDR75, WDR77, WDR82, WDTC1, WEE1, WEE2, WIPI2, WIZ, WRAP53, WRN, WT1, WTAP, WWTR1, XAB2, XAF1, XBP1, XIAP, XPA, XPC, XPO1, XPO4, XPO5, XPO6, XPOT, XRCC1, XRCC2, XRCC3, XRCC4, XRCC5, XRCC6, XRN2, XRRA1, YAF2, YAP1, YBX1, YEATS2, YEATS4, YIPF1, YIPF5, YJU2, YTHDC1, YWHAZ, YY1, YY1AP1, ZBED1, ZBED4, ZBED6, ZBP1, ZBTB1, ZBTB10, ZBTB11, ZBTB12, ZBTB14, ZBTB17, ZBTB18, ZBTB2, ZBTB20, ZBTB21, ZBTB25, ZBTB26, ZBTB32, ZBTB33, ZBTB34, ZBTB37, ZBTB38, ZBTB39, ZBTB4, ZBTB42, ZBTB45, ZBTB49, ZBTB6, ZBTB7B, ZBTB8OS, ZC3H11A, ZC3H12A, ZC3H12D, ZC3H13, ZC3H4, ZC3H8, ZC3HC1, ZCCHC8, ZCCHC9, ZCRB1, ZDHHC5, ZDHHC7, ZEB1, ZEB2, ZFHX3, ZFP91, ZFPM1, ZFPM2, ZFX, ZFY, ZFYVE27, ZGLP1, ZGPAT, ZHX1, ZHX2, ZHX3, ZIC1, ZIC2, ZIC3, ZKSCAN3, ZKSCAN4, ZMAT2, ZMAT3, ZMAT5, ZMIZ1, ZMIZ2, ZMYM3, ZMYND11, ZMYND8, ZNF12, ZNF131, ZNF134, ZNF143, ZNF148, ZNF16, ZNF207, ZNF212, ZNF217, ZNF219, ZNF22, ZNF224, ZNF225, ZNF232, ZNF233, ZNF24, ZNF256, ZNF260, ZNF281, ZNF300, ZNF318, ZNF322, ZNF326, ZNF330, ZNF335, ZNF34, ZNF346, ZNF350, ZNF354A, ZNF354C, ZNF366, ZNF367, ZNF383, ZNF385A, ZNF395, ZNF420, ZNF423, ZNF425, ZNF432, ZNF436, ZNF438, ZNF45, ZNF462, ZNF470, ZNF473, ZNF480, ZNF512B, ZNF521, ZNF540, ZNF547, ZNF554, ZNF572, ZNF580, ZNF589, ZNF593, ZNF594, ZNF606, ZNF609, ZNF622, ZNF638, ZNF639, ZNF641, ZNF672, ZNF687, ZNF692, ZNF74, ZNF746, ZNF771, ZNF789, ZNF830, ZNF85, ZNF93, ZNHIT1, ZNRF2, ZPR1, ZRANB1, ZRANB2, ZRANB3, ZRSR2, ZSCAN10, ZSCAN26, ZUP1, ZWINT, ZZZ3

(R)-mandelic Acid

Sertraline impurity E, European Pharmacopoeia (EP) Reference Standard

C8H8O3 (152.0473)


(R)-mandelic acid is the (R)-enantiomer of mandelic acid. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a (R)-mandelate. It is an enantiomer of a (S)-mandelic acid. (r)-Mandelic acid is a natural product found in Pisolithus tinctorius, Pisolithus arhizus, and other organisms with data available. (R)-mandelic Acid, also known as (R)-2-Hydroxy-2-phenylacetic acid or (-)-(R)-Mandelate, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. (R)-mandelic Acid is considered to be soluble (in water) and acidic The (R)-enantiomer of mandelic acid. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID M068 D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. D-(-)-Mandelic acid is a natural compound isolated from bitter almonds.

   

Magnocurarine

Isoquinolinium, 1,2,3,4-tetrahydro-7-hydroxy-1-((4-hydroxyphenyl)methyl)-6-methoxy-2,2-dimethyl-, (R)-

C19H24NO3+ (314.1756)


Magnocurarine is a member of isoquinolines. Magnocurarine is a natural product found in Lindera megaphylla, Litsea cubeba, and other organisms with data available.

   

Deltoside

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-

C51H84O23 (1064.5403)


Deltoside is a steroid saponin. Protodeltonin is a natural product found in Balanites roxburghii, Trigonella foenum-graecum, and Balanites aegyptiaca with data available.

   

OnjisaponinF

Polygalasaponin XXXI;Onjisaponin F

C75H112O36 (1588.6933)


Onjisaponin F is a triterpenoid saponin. Onjisaponin F is a natural product found in Polygala tenuifolia and Polygala japonica with data available. Polygalasaponin XXXI (Onjisaponin F) is an effective adjuvant for intranasal administration of influenza Influenza hemagglutinin (HA) vaccine to protect influenza virus infection[1]. Polygalasaponin XXXI (Onjisaponin F) is an effective adjuvant for intranasal administration of influenza Influenza hemagglutinin (HA) vaccine to protect influenza virus infection[1].

   

Garbanzol

4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-

C15H12O5 (272.0685)


Garbanzol is a member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4. It has a role as an antimutagen and a metabolite. It is a trihydroxyflavanone, a member of dihydroflavonols, a secondary alpha-hydroxy ketone and a member of 4-hydroxyflavanones. Garbanzol is a natural product found in Pterocarpus marsupium, Brucea javanica, and other organisms with data available. See also: Pterocarpus marsupium wood (part of). A member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4. Garbanzol is found in Cicer arietinum (chickpea) and Capsella bursa-pastoris (shepherds purse).

   

bruceosideA

methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate

C32H42O16 (682.2473)


Bruceoside A is a triterpenoid saponin. Bruceoside A is a natural product found in Brucea javanica with data available.

   

Tiglic acid

alpha,beta-dimethyl acrylic acid; 2-Methyl-2-butenoic acid; (E)-2-methyl-Crotonic acid

C5H8O2 (100.0524)


Tiglic acid is a monocarboxylic unsaturated organic acid. It is found in croton oil and in several other natural products. It has also been isolated from the defensive secretion of certain beetles. Tiglic acid, also known as tiglate or tiglinsaeure, belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Tiglic acid has a double bond between the second and third carbons of the chain. Tiglic acid and angelic acid form a pair of cis-trans isomers. Tiglic acid is a volatile and crystallizable substance with a sweet, warm, spicy odour. It is used in making perfumes and flavoring agents. The salts and esters of tiglic acid are called tiglates. Tiglic acid is a 2-methylbut-2-enoic acid having its double bond in trans-configuration. It has a role as a plant metabolite. It is functionally related to a crotonic acid. Tiglic acid is a natural product found in Aloe africana, Azadirachta indica, and other organisms with data available. See also: Arctium lappa Root (part of); Petasites hybridus root (part of). A branched-chain fatty acid consisting of 2-butenoic acid having a methyl group at position 2. Flavouring ingredient KEIO_ID T016 Tiglic acid is a monocarboxylic unsaturated organic acid found in croton oil and in several other natural products. Tiglic aci has a role as a plant metabolite[1]. Tiglic acid is a monocarboxylic unsaturated organic acid found in croton oil and in several other natural products. Tiglic aci has a role as a plant metabolite[1].

   

1,7-dimethylurate

2,8-dihydroxy-1,7-dimethyl-6,7-dihydro-1H-purin-6-one

C7H8N4O3 (196.0596)


1,7 dimethyluric acid is the major urinary caffeine metabolites that is produced in the human body. 1,7 dimethyluric acid is formed during metabolism of caffeine and the process is catalyzed primarily by CYP2A6. (PMID: 18715882) [HMDB] 1,7-Dimethyluric acid is the major urinary caffeine metabolite that is produced in the human body. 1,7-Dimethyluric acid is formed during caffeine metabolism and the process is catalyzed primarily by CYP2A6 (PMID: 18715882).

   

DIMETHACHLOR

DIMETHACHLOR

C13H18ClNO2 (255.1026)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 707 CONFIDENCE standard compound; INTERNAL_ID 8395 CONFIDENCE standard compound; INTERNAL_ID 3390

   

N-Methyltryptamine

[2-(1H-indol-3-yl)ethyl](methyl)amine

C11H14N2 (174.1157)


N-Methyltryptamine (NMT), or monomethyltryptamine, is a tryptamine alkaloid that has been found in the bark, shoots and leaves of numerous plants. (wikipedia). N-Methyltryptamine was detected in urine from all autistic patients with mental retardation and epilepsy and many autistic patients (32/47) with mental retardation (PubMed ID 8747157 ). N-Methyltryptamine (NMT), or monomethyltryptamine, is a tryptamine alkaloid that has been found in the bark, shoots and leaves of numerous plants. (wikipedia)

   

6-Acetylmorphine

10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-14-yl acetate

C19H21NO4 (327.1471)


6-acetylmorphine belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

   

Methyl red

Methyl red(to be removed)

C15H15N3O2 (269.1164)


D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9367; ORIGINAL_PRECURSOR_SCAN_NO 9363 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9443; ORIGINAL_PRECURSOR_SCAN_NO 9441 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9445; ORIGINAL_PRECURSOR_SCAN_NO 9443 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9467; ORIGINAL_PRECURSOR_SCAN_NO 9462 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9471; ORIGINAL_PRECURSOR_SCAN_NO 9469 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9503; ORIGINAL_PRECURSOR_SCAN_NO 9501

   

2,6-DICHLOROBENZAMIDE

2,6-DICHLOROBENZAMIDE

C7H5Cl2NO (188.9748)


A member of the class of benzamides that is benzamide substituted by chloro groups at positions 2 and 6. CONFIDENCE standard compound; EAWAG_UCHEM_ID 85 CONFIDENCE standard compound; INTERNAL_ID 3374 CONFIDENCE standard compound; INTERNAL_ID 4051 CONFIDENCE standard compound; INTERNAL_ID 8429

   

Cycloxydim

2-[(1E)-N-Ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyra n-3-yl)-2-cyclohexen-1-one

C17H27NO3S (325.1712)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3045

   

Fluazifop-butyl

Propanoic acid,2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester

C19H20F3NO4 (383.1344)


CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10066; ORIGINAL_PRECURSOR_SCAN_NO 10065 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10009; ORIGINAL_PRECURSOR_SCAN_NO 10006 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10055; ORIGINAL_PRECURSOR_SCAN_NO 10054 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10034; ORIGINAL_PRECURSOR_SCAN_NO 10033 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10019; ORIGINAL_PRECURSOR_SCAN_NO 10017 CONFIDENCE standard compound; INTERNAL_ID 1256; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10046; ORIGINAL_PRECURSOR_SCAN_NO 10044 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3093 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

3,5-Dibromo-4-hydroxybenzoate

3,5-Dibromo-4-hydroxybenzoic acid

C7H4Br2O3 (293.8527)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 804 EAWAG_UCHEM_ID 804; CONFIDENCE standard compound

   

Fentrazamide

4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazole-1-carboxamide

C16H20ClN5O2 (349.1305)


   

Pyridazine-3,6-diol

1,2,3,6-tetrahydropyridazine-3,6-dione

C4H4N2O2 (112.0273)


D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

2-(1-Naphthyl)acetamide

alpha-Naphthaleneacetic acid amide

C12H11NO (185.0841)


Plant growth regulator. Plant growth regulator

   
   

uniconazole

1H-1,2,4-Triazole-1-ethanol, .beta.-[(4-chlorophenyl)methylene]-.alpha.-(1,1-dimethylethyl)-, (.beta.E)-

C15H18ClN3O (291.1138)


   
   

Afugan

ethyl 2-{[diethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C14H20N3O5PS (373.0861)


CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9797; ORIGINAL_PRECURSOR_SCAN_NO 9795 CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9853; ORIGINAL_PRECURSOR_SCAN_NO 9851 CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9899; ORIGINAL_PRECURSOR_SCAN_NO 9895 CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9911; ORIGINAL_PRECURSOR_SCAN_NO 9909 CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9839; ORIGINAL_PRECURSOR_SCAN_NO 9837 CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9884; ORIGINAL_PRECURSOR_SCAN_NO 9882 CONFIDENCE standard compound; INTERNAL_ID 4020 CONFIDENCE standard compound; INTERNAL_ID 8475 CONFIDENCE standard compound; INTERNAL_ID 2604

   

Pirimiphosethyl

Pirimiphos-ethyl

C13H24N3O3PS (333.1276)


CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10152; ORIGINAL_PRECURSOR_SCAN_NO 10151 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10138; ORIGINAL_PRECURSOR_SCAN_NO 10137 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10202; ORIGINAL_PRECURSOR_SCAN_NO 10201 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10195; ORIGINAL_PRECURSOR_SCAN_NO 10194 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10210; ORIGINAL_PRECURSOR_SCAN_NO 10209 CONFIDENCE standard compound; INTERNAL_ID 623; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10096; ORIGINAL_PRECURSOR_SCAN_NO 10095

   

Hydroflumethiazide

1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide

C8H8F3N3O4S2 (330.9908)


Hydroflumethiazide is only found in individuals that have used or taken this drug. It is a thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p822)Hydroflumethiazide is a thiazide diuretic that inhibits water reabsorption in the nephron by inhibiting the sodium-chloride symporter (SLC12A3) in the distal convoluted tubule, which is responsible for 5\\% of total sodium reabsorption. Normally, the sodium-chloride symporter transports sodium and chloride from the lumen into the epithelial cell lining the distal convoluted tubule. The energy for this is provided by a sodium gradient established by sodium-potassium ATPases on the basolateral membrane. Once sodium has entered the cell, it is transported out into the basolateral interstitium via the sodium-potassium ATPase, causing an increase in the osmolarity of the interstitium, thereby establishing an osmotic gradient for water reabsorption. By blocking the sodium-chloride symporter, Hydroflumethiazide effectively reduces the osmotic gradient and water reabsorption throughout the nephron. C - Cardiovascular system > C03 - Diuretics > C03A - Low-ceiling diuretics, thiazides > C03AA - Thiazides, plain D045283 - Natriuretic Agents > D004232 - Diuretics > D049993 - Sodium Chloride Symporter Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators

   

Benzoyl ecgonine

(1R,2R,3S,5S)-8-Methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C16H19NO4 (289.1314)


Benzoylecgonine is the major metabolite of cocaine. It is formed by hydrolysis of cocaine in the liver, catalysed by carboxylesterases. It is excreted in the urine of cocaine users after processing in the liver. [Wikipedia] CONFIDENCE standard compound; INTERNAL_ID 1590

   

(R)-Sulcatol

5-Hepten-2-ol,6-methyl-

C8H16O (128.1201)


(R)-Sulcatol is found in herbs and spices. (R)-Sulcatol occurs in lemongrass oi Flavouring ingredient. 6-Methyl-5-hepten-2-ol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4630-06-2 (retrieved 2024-07-12) (CAS RN: 1569-60-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

4-Heptylphenol

p-Hydroxyheptylbenzene

C13H20O (192.1514)


   

Azinphos-ethyl

O,O-diethyl {[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]sulfanyl}phosphonothioate

C12H16N3O3PS2 (345.0371)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3654 CONFIDENCE standard compound; INTERNAL_ID 2608 CONFIDENCE standard compound; INTERNAL_ID 8478

   

Fluvastatin

(3S,5R,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

C24H26FNO4 (411.1846)


Fluvastatin is an antilipemic agent that competitively inhibits hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase. HMG-CoA reducuase catalyzes the conversion of HMG-CoA to mevalonic acid, the rate-limiting step in cholesterol biosynthesis. Fluvastatin belongs to a class of medications called statins and is used to reduce plasma cholesterol levels and prevent cardiovascular disease. C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor Fluvastatin (XU 62-320 free acid) is a first fully synthetic, competitive HMG-CoA reductase inhibitor with an IC50 of 8 nM. Fluvastatin protects vascular smooth muscle cells against oxidative stress through the Nrf2-dependent antioxidant pathway[1][2][3].

   

Ergosine

.alpha.-Ergosine

C30H37N5O5 (547.2795)


An ergot alkaloid isolated from the fungus Epichloe typhina. CONFIDENCE Claviceps purpurea sclerotia

   

Metycaine

Piperocaine

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

2,4-DMA

2,4-Dimethylaniline

C8H11N (121.0891)


KEIO_ID D180

   

5-Nitro-o-toluidine

2-Methyl-5-nitroaniline

C7H8N2O2 (152.0586)


   

4,4-Thiodianiline

4,4-Thiobisbenzenamine

C12H12N2S (216.0721)


CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6420; ORIGINAL_PRECURSOR_SCAN_NO 6417 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6456; ORIGINAL_PRECURSOR_SCAN_NO 6453 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6267; ORIGINAL_PRECURSOR_SCAN_NO 6266 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6445; ORIGINAL_PRECURSOR_SCAN_NO 6442 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6454; ORIGINAL_PRECURSOR_SCAN_NO 6452 CONFIDENCE standard compound; INTERNAL_ID 936; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6453; ORIGINAL_PRECURSOR_SCAN_NO 6451 CONFIDENCE standard compound; INTERNAL_ID 8111 CONFIDENCE standard compound; INTERNAL_ID 2429 CONFIDENCE standard compound; INTERNAL_ID 4143

   

5-(8-Pentadecenyl)-1,3-benzenediol

5-[(8E)-pentadec-8-en-1-yl]benzene-1,3-diol

C21H34O2 (318.2559)


5-(8-Pentadecenyl)-1,3-benzenediol is found in cashew nut. 5-(8-Pentadecenyl)-1,3-benzenediol is isolated from Ginkgo biloba (ginkgo) fruit Isolated from Ginkgo biloba (ginkgo) fruits. 5-(8-Pentadecenyl)-1,3-benzenediol is found in cashew nut, ginkgo nuts, and fats and oils.

   

D-Chicoric acid

(2S,3S)-2,3-Bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid

C22H18O12 (474.0798)


D-Chicoric acid is found in green vegetables. D-Chicoric acid is isolated from chicory (Cichorium intybus) and Cichorium endivia (endive). Isolated from chicory (Cichorium intybus) and Cichorium endivia (endive). D-Chicoric acid is found in green vegetables. Chicoric acid (Cichoric acid), an orally active dicaffeyltartaric acid, induces reactive oxygen species (ROS) generation. Chicoric acid inhibits cell viability and induces mitochondria-dependent apoptosis in 3T3-L1 preadipocytes through ROS-mediated PI3K/Akt and MAPK signaling pathways. Chicoric acid increases glucose uptake, improves insulin resistance, and attenuates glucosamine-induced inflammation. Chicoric acid has antidiabetic properties and antioxidant, anti-inflammatory effects[1][2][3]. Chicoric acid (Cichoric acid), an orally active dicaffeyltartaric acid, induces reactive oxygen species (ROS) generation. Chicoric acid inhibits cell viability and induces mitochondria-dependent apoptosis in 3T3-L1 preadipocytes through ROS-mediated PI3K/Akt and MAPK signaling pathways. Chicoric acid increases glucose uptake, improves insulin resistance, and attenuates glucosamine-induced inflammation. Chicoric acid has antidiabetic properties and antioxidant, anti-inflammatory effects[1][2][3]. L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3]. L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3].

   

2,4-Dimethylphenol

2,4-Dimethylphenol titanium (+4)

C8H10O (122.0732)


   

D-Arabinono-1,4-lactone

(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one

C5H8O5 (148.0372)


D-arabinono-1,4-lactone, also known as D-arabinonic acid, gamma-lactone, is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. D-arabinono-1,4-lactone is soluble (in water) and a very weakly acidic compound (based on its pKa). D-arabinono-1,4-lactone can be found in rice, which makes D-arabinono-1,4-lactone a potential biomarker for the consumption of this food product. D-arabinono-1,4-lactone may be a unique S.cerevisiae (yeast) metabolite.

   

Tetraphenylarsonium

Tetraphenylarsonium

C24H20As+ (383.0781)


   

Michlers ketone

Bis[4-(dimethylamino)phenyl]methanone

C17H20N2O (268.1576)


INTERNAL_ID 250; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9487 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9500; ORIGINAL_PRECURSOR_SCAN_NO 9498 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9534; ORIGINAL_PRECURSOR_SCAN_NO 9532 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9547; ORIGINAL_PRECURSOR_SCAN_NO 9546 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9468 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 2291 CONFIDENCE standard compound; INTERNAL_ID 8123 CONFIDENCE standard compound; INTERNAL_ID 4144

   

1,2-CYCLOHEXANEDIOL

(1R,2R)-2-AMINO-CYCLOPETANECARBOXYLICACIDHYDROCHLORIDESALT

C6H12O2 (116.0837)


trans-Cyclohexane-1,2-diol is an endogenous metabolite.

   

Altanserin

3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

C22H22FN3O2S (411.1417)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Altanserin can synthesize Fluorine-18 Altanserin. Fluorine-18 Altanserin binds to the brain 5HT2 receptors[1].

   

N-[4-[1-[2-(6-Methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide

N-[4-[1-[2-(6-Methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulphonamide

C21H27N3O3S (401.1773)


D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

2-(Methylamino)benzoic acid

N-Methylanthranilic acid, 8ci

C8H9NO2 (151.0633)


2-(Methylamino)benzoic acid is found in citrus. 2-(Methylamino)benzoic acid is isolated from grapefruit peel oi KEIO_ID M127 2-(Methylamino)benzoic acid is the main metabolite of methyl-N-methylanthranilates (MMA) (HY-76705) and is the compound in which the ester group is converted. MMA can be isolated from citrus fruits and has potential analgesic activity. 2-(Methylamino)benzoic acid was used to detect the metabolic levels of MMA in rat liver[1].

   

2-Aminobenzenesulfonic acid

1-Aminobenzene-2-sulphonic acid

C6H7NO3S (173.0147)


2-Aminobenzenesulfonic acid is an endogenous metabolite.

   

2-Butyne-1,4-diol

Bis(hydroxymethyl)acetylene

C4H6O2 (86.0368)


   

FT-0696949

4-Hydroxy-3-indolylmethylglucosinolate

C16H20N2O10S2 (464.0559)


   

4-Methoxyglucobrassicin

4-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0716)


An indolylmethylglucosinolic acid that is glucobrassicin bearing a methoxy substituent at position 4 on the indole ring.

   

12,13-EpOME

(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid

C18H32O3 (296.2351)


D004791 - Enzyme Inhibitors

   

18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid

(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid

C20H30O3 (318.2195)


18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is also known as 18-HEPE or 18(R)-Hydroxyeicosa-5Z,8Z,11E,14Z,16E-pentaenoate. 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is an eicosanoid lipid molecule

   

9(S)-HPODE

(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid

C18H32O4 (312.23)


9(S)-HPODE is an intermediate in Linoleic acid metabolism(KEGG ID C14827). It is the second to last step in the synthesis of 9-oxoODE, and is converted from linoleate via the enzyme arachidonate 5-lipoxygenase [EC:1.13.11.34]. It is then converted to 9(S)-HODE. D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides

   

Isovaline

(S)-2-AMINO-2-METHYLBUTYRIC ACID

C5H11NO2 (117.079)


KEIO_ID A189

   

threo-b-methylaspartate

DL-threo-beta-Methylaspartic acid

C5H9NO4 (147.0532)


Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID M009

   

8-methylthiooctyl glucosinolate

8-Methylthio-octyl glucosinolate

C16H31NO9S3 (477.1161)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

Glucoalyssin

5-Methylsulfinylpentyl glucosinolate

C13H25NO10S3 (451.0641)


A thia-glucosinolic acid that is glucoberteroin in which the sulfur atom of the methyl thioether group has been oxidised to the corresponding sulfoxide. Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

8-Methylsulfinyloctyl glucosinolate

{[(9-methanesulphinyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}nonylidene)amino]oxy}sulphonic acid

C16H31NO10S3 (493.111)


8-methylsulfinyloctyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 8-methylsulfinyloctyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 8-methylsulfinyloctyl glucosinolate can be found in a number of food items such as opium poppy, chinese chives, agave, and sparkleberry, which makes 8-methylsulfinyloctyl glucosinolate a potential biomarker for the consumption of these food products.

   

UNII:5K6L8O868Y

2,3-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

C15H12O3 (240.0786)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.976 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.978 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.974 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.973 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1].

   

2',4'-Dihydroxyacetophenone

1-(2,4-Dihydroxyphenyl)ethanone, 9ci

C8H8O3 (152.0473)


Potential component of FEMA 3662. 2,4-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite.

   

Glucobrassicanapin

{[(E)-(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino]oxy}sulfonic acid

C12H21NO9S2 (387.0658)


Isolated from rape (Brassica napus) and other Brassica species Glucobrassicanapin is found in many foods, some of which are swede, chinese mustard, chinese cabbage, and horseradish. Glucobrassicanapin is found in brassicas. Glucobrassicanapin is isolated from rape (Brassica napus) and other Brassica sp.

   

4-Hydroxy-3-prenylbenzoate

3-dimethylallyl-4-hydroxybenzoic acid

C12H14O3 (206.0943)


   

Archangelicin

2-(9-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-H]chromen-8-yl)propan-2-yl (2Z)-2-methylbut-2-enoic acid

C24H26O7 (426.1678)


Constituent of the roots of Angelica archangelica (anglica). Archangelicin is found in many foods, some of which are fats and oils, green vegetables, herbs and spices, and angelica. Archangelicin is found in angelica. Archangelicin is a constituent of the roots of Angelica archangelica (anglica)

   

Epi-coprostanol

(1S,2S,5R,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol

C27H48O (388.3705)


Epi-coprostanol, also known as epicholestanol or presteron, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, epi-coprostanol is considered to be a sterol lipid molecule. Epi-coprostanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Epi-coprostanol is a 27 carbon stanol formed from the biohydrogenation of cholesterol (cholest-5en-3β-ol) in the gut of most higher animals and birds. It is a breakdown product of 5b-coprastanol and can be found in treated sewage. It is considered to be an antioxidant and is a major constituent of ambergris. [HMDB] Same as: D01527

   

(±)-Citronellyl acetate

Acetic acid, 3,7-dimethyl-6-octen-1-yl ester

C12H22O2 (198.162)


(±)-Citronellyl acetate, also known as b-citronellol acetic acid or cephrol acetate, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. (±)-Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. (±)-Citronellyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring ingredient. Constituent of citronella oil, orange juice, lemon juice and peel, grapefruit peel, swangi (Citrus hystrix), ginger, tarragon, myrtle leaf, West Indian lemongrass oil and beer. (±)-Citronellyl acetate is found in many foods, some of which are herbs and spices, carrot, wild carrot, and blackcurrant. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].

   

4-Aminoisoxazolidin-3-one

(+-)-4-amino-3-isoxazolidinone

C3H6N2O2 (102.0429)


4-amino-1,2-oxazolidin-3-one is a member of the class of oxazolidines that is isoxazoldin-3-one which is substituted at position 4 by an amino group. It is a serine derivative, a member of oxazolidines, a primary amino compound and a hydroxamic acid ester.

   

Antiarol

InChI=1/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H

C9H12O4 (184.0736)


3,4,5-trimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. It has a role as a plant metabolite. It is a member of phenols and a member of methoxybenzenes. 3,4,5-Trimethoxyphenol is a natural product found in Diospyros eriantha, Tarenna attenuata, and other organisms with data available. A member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Cochlospermum vitifolium. Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Cochlospermum vitifolium.

   

3-Hydroxy-N-(2-oxotetrahydrofuran-3-yl)octanamide

3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide

C12H21NO4 (243.1471)


   

Aminoundecanoic acid

11-amino-undecanoic acid

C11H23NO2 (201.1729)


11-Aminoundecanoic acid is an organic compound with the formula H2N(CH2)10CO2H. This white solid is classified as an amine and a fatty acid. 11-Aminoundecanoic acid is a precursor to Nylon-11.[1] As practiced by Arkema, 11-aminoundecanoic acid is prepared industrially from undecylenic acid, which is derived from castor oil.[2] The synthesis proceeds in four separate reactions: 1. Transesterification of castor oil to methyl ricinoleate: Crude castor oil consists of about 80\\% triglycerides, from the ricinoleic acid, itself representing about 90\\% of the oil.[3] It is quantitatively transesterified with methanol to methyl ricinoleate (the methyl ester of ricinoleic acid) in the presence of the basic sodium methoxide at 80 °C within 1 h reaction time in a stirred reactor. At the end of the reaction, the resulting glycerol separates and the liquid methyl ester is washed with water to remove residual glycerol. 2. Pyrolysis of methylricinoleate to heptanal and methyl undecenoate: Methylricinoleate is evaporated at 250 °C, mixed with hot steam (600 °C) in a 1:1 ratio and decomposed in a cracking furnace at 400 - 575 °C at a retention time of about 10 seconds into its cleavage products heptanal and methyl undecenoate. The cleavage of the aliphatic chain occurs in this variant of the steam cracking selectively between the hydroxymethylene and the allyl-methylene group. Besides heptanal and methyl undecenoate, a mixture of methyl esters of saturated and unsaturated C18-carboxylic acids is obtained. This mixture is known under the trade name Esterol and is used as a lubricant additive. 3. Hydrolysis of methyl undecenoate to 10-undecenoic acid The hydrolysis of the methyl ester with sodium hydroxide proceeds at 25 °C within 30 min with quantitative yield. After acidification with hydrochloric acid, solid 10-undecenoic acid (undecylenic acid) is obtained. 4. Hydrobromination of 10-undecenoic acid to 11-bromoundecanoic acid The undecenoic acid is dissolved in toluene and, in the presence of the radical initiator benzoyl peroxide (BPO), gaseous hydrogen bromide is added, in contrary to the Markovnikov rule ("anti-Markovnikov"). When cooled to 0 °C, the fast and highly exothermic reaction produces 11-bromoundecanoic acid in 95\\% yield - the Markovnikov product 10-bromoundecanoic acid is produced in small quantities as a by-product. Toluene and unreacted hydrogen bromide are extracted under reduced pressure and reused. 5. Bromine exchange of 11-bromoundecanoic acid to 11-aminoundecanoic acid 11-Bromodecanoic acid is mixed at 30 °C with a large excess of 40\\% aqueous ammonia solution. When the reaction is complete, water is added and the mixture is heated to 100 °C to remove the excess ammonia. The acid can be recrystallized from water. For further purification, the hydrochloride of 11-aminoundecanoic acid, which is available by acidification with hydrochloric acid, can be recrystallized from a methanol/ethyl acetate mixture. Aminoundecanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2432-99-7 (retrieved 2024-07-01) (CAS RN: 2432-99-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1006

   

13-hydroxylupanine

(+)-13α-Hydroxylupanine

C15H24N2O2 (264.1838)


   

Chromafenozide

N-tert-butyl-3,5-dimethyl-N-(5-methyl-3,4-dihydro-2H-1-benzopyran-6-carbonyl)benzohydrazide

C24H30N2O3 (394.2256)


   

Nostoxanthin

Nostoxanthin

C40H56O4 (600.4178)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Window width for selecting the precursor ion was 3 Da.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

   

DIMBOA-Glc

4-hydroxy-7-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C15H19NO10 (373.1009)


Isolated from sweet corn (Zea mays). (R)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in many foods, some of which are corn, fats and oils, common wheat, and cereals and cereal products. DIMBOA-Glc is found in cereals and cereal products. DIMBOA-Glc is isolated from sweet corn (Zea mays

   

beta-Zeacarotene

β-Zeacarotene

C40H58 (538.4538)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Window width to select the precursor ion was 3 Da.; CONE_VOLTAGE is 10 V.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.

   

gamma-Carotene

2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene

C40H56 (536.4382)


gamma-Carotene is a cyclic carotene obtained by the cyclization of lycopene. It is found in human serum and breast milk (PMID: 9164160). Carotenoids are isoprenoid molecules that are widespread in nature and are typically seen as pigments in fruits, flowers, birds, and crustacea. Animals are unable to synthesize carotenoids de novo and rely upon the diet as a source of these compounds. Over recent years there has been considerable interest in dietary carotenoids with respect to their potential in alleviating age-related diseases in humans. This attention has been mirrored by significant advances in cloning most of the carotenoid genes and in the genetic manipulation of crop plants with the intention of increasing levels in the diet. Studies have shown an inverse relationship between the consumption of certain fruits and vegetables and the risk of epithelial cancer. Since carotenoids are among the micronutrients found in cancer-preventive foods, detailed qualitative and quantitative determination of these compounds, particularly in fruits and vegetables and in human plasma, have recently become increasingly important (PMID: 1416048, 15003396). Gamma-carotene, also known as γ-carotene, is a member of the class of compounds known as carotenes. Carotenes are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Gamma-carotene can be found in a number of food items such as corn, yellow bell pepper, fig, and papaya, which makes gamma-carotene a potential biomarker for the consumption of these food products.

   

Lutein 5,6-epoxide

(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

C40H56O3 (584.4229)


Lutein; 5,6-Epoxide is found in common grape. Paprika oleoresin (also known as paprika extract) is an oil soluble extract from the fruits of Capsicum Annum Linn or Capsicum Frutescens(Indian red chillies), and is primarily used as a colouring and/or flavouring in food products. It is composed of capsaicin, the main flavouring compound giving pungency in higher concentrations, and capsanthin and capsorubin, the main colouring compounds (among other carotenoids). Isolated from a variety of higher plants and from algae. Taraxanthin was a mixture with lutein epoxide as the main component. [CCD]. Lutein 5,6-epoxide is found in many foods, some of which are rice, swamp cabbage, garden tomato (variety), and common grape.

   

Lucidin omega-methyl ether

2-(Methoxymethyl)-1,3-dihydroxyanthraquinone

C16H12O5 (284.0685)


   

2-INDANONE

2-INDANONE

C9H8O (132.0575)


   

3-Hydroxy-2-oxoindole

1,3-Dihydro-3-hydroxy-2H-indol-2-one

C8H7NO2 (149.0477)


3-Hydroxy-2-oxoindole is an oxidized indole derivative. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 3-hydroxy-2-oxoindole is a naturally occurring indole metabolite found in human urine (PMID: 11722560). It is a reduced form of the more abundant naturally occurring indole metabolite known as isatin (which is derived from the gut microbial metabolism of tryptophan). 3-hydroxy-2-oxoindole is generated via the activity of the enzyme known as isatin reductase, which is found in the liver and kidney (PMID: 11722560). It exhibits modest monoamine oxidase A and B inhibitory activity. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors

   

5-Hydroxyindolepyruvate

5-Hydroxyindolepyruvate

C11H9NO4 (219.0532)


   

Tridecane

InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H

C13H28 (184.2191)


Tridecane appears as an oily straw yellow clear liquid with a hydrocarbon odor. Flash point 190-196 °F. Specific gravity 0.76. Boiling point 456 °F. Repeated or prolonged skin contact may irritate or redden skin, progressing to dermatitis. Exposure to high concentrations of vapor may result in headache and stupor. Tridecane is a straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. It has a role as a plant metabolite and a volatile oil component. Tridecane is a natural product found in Dryopteris assimilis, Thyanta perditor, and other organisms with data available. Tridecane is an alkane hydrocarbon with the chemical formula CH3(CH2)11CH3. Tridecane is found in allspice and it is also isolated from lime oil. It is a light, combustible colourless liquid that is used in the manufacture of paraffin products, the paper processing industry, in jet fuel research and in the rubber industry; furthermore, tridecane is used as a solvent and distillation chaser. n-tridecane is also one of the major chemicals secreted by some insects as a defense against predators. Tridecane has 802 constitutional isomers A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. Isolated from lime oil Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2]. Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2].

   

Malonic semialdehyde

Malonic semialdehyde sodium salt

C3H4O3 (88.016)


Malonic semialdehyde is formed in the alternative pathway of propionate metabolism and in the catabolism of beta-alanine. Studies done on these pathways in cultured cells from a patient with mitochondrial malonyl-CoA decarboxylase deficiency show that malonic semialdehyde is directly converted into acetyl-CoA in man. (PMID: 6418146) [HMDB]. Malonic semialdehyde is found in many foods, some of which are spinach, rocket salad (sspecies), pepper (c. pubescens), and bilberry. Malonic semialdehyde is formed in the alternative pathway of propionate metabolism and in the catabolism of beta-alanine. Studies done on these pathways in cultured cells from a patient with mitochondrial malonyl-CoA decarboxylase deficiency show that malonic semialdehyde is directly converted into acetyl-CoA in man. (PMID: 6418146).

   

5-Dehydro-D-fructose

1,3,4,6-tetrahydroxyhexane-2,5-dione

C6H10O6 (178.0477)


   

Mandelonitrile

(R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE

C8H7NO (133.0528)


Mandelonitrile is a chemical compound of the cyanohydrin class. Small amounts of mandelonitrile occur in the pits of some fruits. (Wikipedia)

   

2-Acetolactate

2-hydroxy-2-methyl-3-oxobutanoic acid

C5H8O4 (132.0423)


2-Acetolactate is involved in the butanoate metabolism and pantothenate and CoA biosynthesis pathways. In the butanoate metabolism pathway, 2-Acetolactate is created from 2-(alpha-Hydroxyethyl)thiamine diphosphate by acetolactate synthase [EC:2.2.1.6]. 2-Acetolactate is then converted to (R)-Acetoin by acetolactate decarboxylase [EC:4.1.1.5]. In the pantothenate and CoA pathway, 2-Acetolactate is irreversibly created from pyruvate by acetolactate synthase [EC:2.2.1.6]. 2-Acetolactate is then irreversibly converted to 2,3-Dihydroxy-3-methylbutanoate by ketol-acid reductoisomerase [EC:1.1.1.86]. 2-Acetolactate is involved in the butanoate metabolism and pantothenate and CoA biosynthesis pathways.

   

Coelenterazine h

Renilla luciferin

C26H21N3O2 (407.1634)


   

Formylmethanofuran

7-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[2-[4-[[5-(formamidomethyl)-3-furyl]methoxy]phenyl]ethylamino]-4-oxo-butyl]amino]-4-oxo-butyl]amino]-7-oxo-heptane-1,3,4-tricarboxylic acid

C35H44N4O16 (776.2752)


   

Isopropyl catechol

3-isopropylbenzene-1,2-diol

C9H12O2 (152.0837)


   

3-Oxo-delta5-steroid

3-Oxo-delta5-steroid

C19H28O (272.214)


   

Maleylacetoacetic acid

(2Z)-4,6-Dioxo-2-octenedioic acid

C8H8O6 (200.0321)


Maleylacetoacetic acid, also known as 4-maleylacetoacetate, is an intermediate in the metabolism of tyrosine. Homogentisate 1,2-dioxygenase (HGD) is the enzyme which catalyzes the conversion of homogentisate into 4-maleylacetoacetate. HGD is involved in the catabolism of aromatic rings, more specifically in the breakdown of the amino acids tyrosine and phenylalanine.

   

pimeloyl-CoA

7-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-7-oxoheptanoic acid

C28H46N7O19P3S (909.1782)


Pimeloyl-coa, also known as pimeloyl-coenzyme a or 6-carboxyhexanoyl-coa, is a member of the class of compounds known as 2,3,4-saturated fatty acyl coas. 2,3,4-saturated fatty acyl coas are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain. Thus, pimeloyl-coa is considered to be a fatty ester lipid molecule. Pimeloyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Pimeloyl-coa can be synthesized from pimelic acid and coenzyme A. Pimeloyl-coa is also a parent compound for other transformation products, including but not limited to, 3-hydroxypimeloyl-CoA, 3-oxopimeloyl-CoA, and 2,3-didehydropimeloyl-CoA. Pimeloyl-coa can be found in a number of food items such as german camomile, rose hip, chinese chestnut, and star anise, which makes pimeloyl-coa a potential biomarker for the consumption of these food products. Pimeloyl-coa may be a unique S.cerevisiae (yeast) metabolite.

   

scyllo-Inosamine

6-aminocyclohexane-1,2,3,4,5-pentol

C6H13NO5 (179.0794)


   

Uridine 3'-monophosphate

{[(2R,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid

C9H13N2O9P (324.0359)


Uridine 3-monophosphate (3-UMP) belongs to the class of compounds called pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Uridine 3-monophosphate has been identified in the human placenta (PMID: 32033212). COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Tauropine

2-(2-sulfoethylamino)propanoic acid

C5H11NO5S (197.0358)


A derivative of L-alanine having a 2-sulfoethyl group attached to the alpha-nitrogen.

   

UDP-D-apiose

[({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid

C14H22N2O16P2 (536.0445)


D-apiose is a plant-specific branched-chain monosaccharide found in rhamnogalacturonan II (RG-II), apiogalacturonan, and several apioglycosides. Within RG-II, d-apiose serves as the binding site for borate, which leads to the formation of cross-links within the wall. Biochemical studies in duckweed and parsley have established that uridine 5-diphospho-d-apiose (UDP-d-apiose) is formed from UDP-d-glucuronate by decarboxylation and re-arrangement of the carbon skeleton, leading to ring contraction and branch formation. The enzyme catalyzing this reaction also forms UDP-d-xylose by decarboxylation of UDP-d-glucuronate, and has therefore been named UDP-d-apiose/UDP-d-xylose synthase. (PMID: 12969423) [HMDB] D-Apiose is a plant-specific branched-chain monosaccharide found in rhamnogalacturonan II (RG-II), apiogalacturonan, and several apioglycosides. Within RG-II, D-apiose serves as the binding site for borate, which leads to the formation of cross-links within the wall. Biochemical studies in duckweed and parsley have established that uridine 5-diphospho-D-apiose (UDP-D-apiose) is formed from UDP-D-glucuronate by decarboxylation and re-arrangement of the carbon skeleton, leading to ring contraction and branch formation. The enzyme catalyzing this reaction also forms UDP-D-xylose by decarboxylation of UDP-D-glucuronate, and has therefore been named UDP-D-apiose/UDP-D-xylose synthase (PMID: 12969423).

   

Paromamine

CHEMBL431061

C12H25N3O7 (323.1692)


   

Pentalenene

(2R,5S,8S)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene

C15H24 (204.1878)


   

Gentamicin A

Gentamicin A sulfate

C18H36N4O10 (468.2431)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D005839 - Gentamicins

   

2-Pentanone

N-Propyl methyl ketone

C5H10O (86.0732)


2-Pentanone, also known as ethyl acetone or fema 2842, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. 2-Pentanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 2-pentanone is considered to be an oxygenated hydrocarbon lipid molecule. 2-Pentanone is a sweet, alcohol, and banana tasting compound. 2-Pentanone is found, on average, in the highest concentration within milk (cow). 2-Pentanone has also been detected, but not quantified, in several different foods, such as fats and oils, corns, apples, evergreen blackberries, and fruits. This could make 2-pentanone a potential biomarker for the consumption of these foods. 2-Pentanone, with regard to humans, has been found to be associated with several diseases such as ulcerative colitis, nonalcoholic fatty liver disease, and crohns disease; 2-pentanone has also been linked to the inborn metabolic disorder celiac disease. Isolated from soya oil (Glycine max), pineapple and a few other plant sources

   

Aristolochene

(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene 7betaH-eremophila-9,11-diene

C15H24 (204.1878)


   

Aspulvinone E

(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylene]-2(5H)-furanone

C17H12O5 (296.0685)


A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity.

   

Acetylpyruvate

2,4-Dioxopentanoate

C5H6O4 (130.0266)


   

beta-Alanopine

N-(D-1-Carboxyethyl)-beta-alanine

C6H11NO4 (161.0688)


   

17-Deoxyestradiol

15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-ol

C18H24O (256.1827)


   

Chlordecone alcohol

1,2,3,4,6,7,8,9,10,10-Decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-ol

C10H2Cl10O (487.6991)


Chlordecone alcohol is the major metabolite of Chlordecone [ an organochlorine pesticide, CAS# 143-50-0] in humans via bioreduction in the liver by Chlordecone reductase [EC: 1.1.1.225 ,CAS # 102484-73-1]. (PMID 2420999). Chlordecone treatment actively suppresses induction of 2B1 and 2B2 mRNAs in adult human hepatocytes; anti-estrogens such as Tamoxifen fail to reverse 2B1/2 mRNA induction following Chlordecone treatment of hepatocytes. (PMID 7513451). Both Chlordecone and Chlordecone alcohol alter the permeability of isolated ovine erythrocytes. (PMID 2455063). Chlordecone alcohol is the major metabolite of Chlordecone [ an organochlorine pesticide, CAS# 143-50-0] in humans via bioreduction in the liver by Chlordecone reductase [EC: 1.1.1.225 ,CAS # 102484-73-1]. (PMID 2420999)

   

5-Phosphoribosylamine

{[(2R,3S,4R,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

C5H12NO7P (229.0351)


5-Phosphoribosylamine is a substrate for Amidophosphoribosyltransferase and Trifunctional purine biosynthetic protein adenosine-3. [HMDB] 5-Phosphoribosylamine is a substrate for Amidophosphoribosyltransferase and Trifunctional purine biosynthetic protein adenosine-3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Deacetylcephalosporin C

7-(5-Amino-5-carboxyvalerylamino)-3-hydroxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H19N3O7S (373.0944)


A 3-hydroxymethylcephalosporin having a (5-amino-5-carboxypentanoyl)amino group at the 7-position. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

Phenanthrene-3,4-diol

3,4-Dihydroxyphenanthrene

C14H10O2 (210.0681)


   

phosphonoacetaldehyde

(2-oxoethyl)phosphonic acid

C2H5O4P (123.9925)


   

Isobutanal oxime

Propanal, 2-methyl-,oxime

C4H9NO (87.0684)


   

Beta-D-Fructose 2-phosphate

{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid

C6H13O9P (260.0297)


beta-D-Fructose 2-phosphate is involved in the fructose eand mannose system. beta-D-Fructose 2-phosphate is produced from beta-D-Fructose 2,6-bisphosphate by the enzyme fructose-2,6-bisphosphate 6-phosphatase [EC 3.1.3.54]. [HMDB] beta-D-Fructose 2-phosphate is involved in the fructose eand mannose system. beta-D-Fructose 2-phosphate is produced from beta-D-Fructose 2,6-bisphosphate by the enzyme fructose-2,6-bisphosphate 6-phosphatase [EC 3.1.3.54].

   

9-O-Acetylneuraminic acid

O-Acetylneuraminic acid; O-Acetylated sialic acid

C11H19NO9 (309.106)


The acetate ester of the primary hydroxy group of neuraminic acid.

   

5-alpha-DIHYDROCORTISONE

17,21-dihydroxy-5alpha-pregnane-3,11,20-trione

C21H30O5 (362.2093)


   

D-Erythrulose 4-phosphate

D-Erythrulose 4-phosphate

C4H9O7P (200.0086)


A ketotetrose phosphate that is D-erythrulose carrying a phosphono substituent at position O-4.

   

Inosine tetraphosphate

Inosine 5-tetraphosphate

C10H16N4O17P4 (587.9461)


   

CMP-N-glycoloylneuraminate

(2S,4S,6R)-6-[(1S,2S)-3-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-1,2-dihydroxypropyl]-5-[(1,2-dihydroxyethylidene)amino]-2,4-dihydroxyoxane-2-carboxylate

C20H31N4O17P (630.1422)


CMP-N-glycoloylneuraminate is an intermediate in Aminosugars metabolism. It is generated from CMP-N-acetylneuraminate via the enzyme CMP-N-acetylneuraminate monooxygenase (EC 1.14.18.2). CMP-N-glycoloylneuraminate can be converted to N-Glycolylneuraminate via the enzyme N-acylneuraminate cytidylyltransferase (EC 2.7.7.43). [HMDB] CMP-N-glycoloylneuraminate is an intermediate in Aminosugars metabolism. It is generated from CMP-N-acetylneuraminate via the enzyme CMP-N-acetylneuraminate monooxygenase (EC 1.14.18.2). CMP-N-glycoloylneuraminate can be converted to N-Glycolylneuraminate via the enzyme N-acylneuraminate cytidylyltransferase (EC 2.7.7.43).

   

SCHEMBL534447

Isobutyraldoxime O-methyl ether

C5H11NO (101.0841)


   

(Z)-But-1-ene-1,2,4-tricarboxylate

(1Z)-but-1-ene-1,2,4-tricarboxylic acid

C7H8O6 (188.0321)


This compound belongs to the family of Tricarboxylic Acids and Derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).

   

3-Hydroxyisobutyryl-CoA

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)


   

SCHEMBL4290912

N(6)-[(indol-3-yl)acetyl]-L-lysine

C16H21N3O3 (303.1583)


D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids

   

Ac-Phe-3,5-diiodo-Tyr-OH

N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine

C20H20I2N2O5 (621.9462)


   

9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid

(5Z)-7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]hept-5-enoic acid

C20H30O5 (350.2093)


9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid is also known as 15-Deoxy-15-oxo-prostaglandin D2. 9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid is considered to be practically insoluble (in water) and acidic. 9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid is an eicosanoid lipid molecule

   

Histidylleucine

(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanoic acid

C12H20N4O3 (268.1535)


Histidylleucine is a dipeptide composed of histidine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

(S)-3-Hydroxy-N-methylcoclaurine

4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}benzene-1,2-diol

C18H21NO4 (315.1471)


(S)-3-Hydroxy-N-methylcoclaurine is an intermediate in the biosynthesis of alkaloids (KEGG ID C05202). It is the 10th to last step in the synthesis of morphine and is converted from (s)-N-methylcoclaurine via the enzyme tyrosinase [EC:1.14.18.1]. It is then converted to (S)-reticuline. [HMDB] (S)-3-Hydroxy-N-methylcoclaurine is an intermediate in the biosynthesis of alkaloids (KEGG ID C05202). It is the 10th to last step in the synthesis of morphine and is converted from (s)-N-methylcoclaurine via the enzyme tyrosinase [EC:1.14.18.1]. It is then converted to (S)-reticuline.

   

(S)-Hydroxydecanoyl-CoA

{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C31H54N7O18P3S (937.2459)


(s)-hydroxydecanoyl-coa, also known as S-(3-hydroxydecanoate) CoA or 3S-hydroxy-decanoyl-CoA is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 3-hydroxydecanoic acid thioester of coenzyme A. (s)-hydroxydecanoyl-coa is an acyl-CoA with 10 fatty acid group as the acyl moiety attached to coenzyme A. Coenzyme A was discovered in 1946 by Fritz Lipmann (Journal of Biological Chemistry (1946) 162 (3): 743–744) and its structure was determined in the early 1950s at the Lister Institute in London. Coenzyme A is a complex, thiol-containing molecule that is naturally synthesized from pantothenate (vitamin B5), which is found in various foods such as meat, vegetables, cereal grains, legumes, eggs, and milk. More specifically, coenzyme A (CoASH or CoA) consists of a beta-mercaptoethylamine group linked to the vitamin pantothenic acid (B5) through an amide linkage and 3-phosphorylated ADP. Coenzyme A is synthesized in a five-step process that requires four molecules of ATP, pantothenate and cysteine. It is believed that there are more than 1100 types of acyl-CoA’s in the human body, which also corresponds to the number of acylcarnitines in the human body. Acyl-CoAs exists in all living species, ranging from bacteria to plants to humans. The general role of acyl-CoA’s is to assist in transferring fatty acids from the cytoplasm to mitochondria. This process facilitates the production of fatty acids in cells, which are essential in cell membrane structure. Acyl-CoAs are also susceptible to beta oxidation, forming, ultimately, acetyl-CoA. Acetyl-CoA can enter the citric acid cycle, eventually forming several equivalents of ATP. In this way, fats are converted to ATP -- or biochemical energy. Acyl-CoAs can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain acyl-CoAs; 2) medium-chain acyl-CoAs; 3) long-chain acyl-CoAs; and 4) very long-chain acyl-CoAs; 5) hydroxy acyl-CoAs; 6) branched chain acyl-CoAs; 7) unsaturated acyl-CoAs; 8) dicarboxylic acyl-CoAs and 9) miscellaneous acyl-CoAs. Short-chain acyl-CoAs have acyl-groups with two to four carbons (C2-C4), medium-chain acyl-CoAs have acyl-groups with five to eleven carbons (C5-C11), long-chain acyl-CoAs have acyl-groups with twelve to twenty carbons (C12-C20) while very long-chain acyl-CoAs have acyl groups with more than 20 carbons. (s)-hydroxydecanoyl-coa is therefore classified as a medium chain acyl-CoA. The oxidative degradation of fatty acids is a two-step process, catalyzed by acyl-CoA synthetase/synthase. Fatty acids are first converted to their acyl phosphate, the precursor to acyl-CoA. The latter conversion is mediated by acyl-CoA synthase. Three types of acyl-CoA synthases are employed, depending on the chain length of the fatty acid. (s)-hydroxydecanoyl-coa, being a medium chain acyl-CoA is a substrate for medium chain acyl-CoA synthase. The second step of fatty acid degradation is beta oxidation. Beta oxidation occurs in mitochondria and, in the case of very long chain acyl-CoAs, the peroxisome. After its formation in the cytosol, (S)-Hydroxydecanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of (S)-Hydroxydecanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts (S)-Hydroxydecanoyl-CoA into 3-Hydroxydecanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 3-Hydroxydecanoylcarnitine is converted back to (S)-Hydroxydecanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of (S)-Hydroxydecanoyl-CoA occurs in four steps. First, since (S)-Hydroxydecanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of (S)-Hydroxydecanoyl-CoA, creating a double bond between the alpha and beta carbons. FAD is the hydrogen acceptor, yielding FADH2. Second, Enoyl-CoA hydrase catalyzes the addition of water across the newly formed double bo... (S)-Hydroxydecanoyl-CoA has a role in the synthesis and oxidation of fatty acids. It is involved in fatty acid elongation in mitochondria. In this pathway 3-Oxodecanoyl-CoA is acted upon by two enzymes, 3-hydroxyacyl-CoA dehydrogenase and long-chain-3-hydroxyacyl-CoA dehydrogenase to produce (S)-Hydroxydecanoyl-CoA. Since coenzyme A is chemically a thiol, it can react with carboxylic acids to form thioesters, thus functioning as an acyl group carrier. It assists in transferring fatty acids from the cytoplasm to mitochondria. A molecule of coenzyme A carrying an acetyl group is also referred to as acetyl-CoA. When it is not attached to an acyl group it is usually referred to as CoASH or HSCoA. [HMDB]

   

3-Oxooctanoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxooctanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C29H48N7O18P3S (907.1989)


3-Oxooctanoyl-CoA is the substrate of the acetyl-CoA C-acyltransferase/oxoacyl-CoA thiolase A (EC 2.3.1.16, SCP2/3-oxoacyl-CoA thiolase) present in peroxisomes from normal liver. Peroxisomes beta -oxidize a wide variety of substrates including straight chain fatty acids, 2-methyl-branched fatty acids, and the side chain of the bile acid intermediates di- and trihydroxycoprostanic acids. Peroxisomes contain several beta -oxidation pathways with different substrate specificities; or example, straight chain acyl-CoAs are desaturated by palmitoyl-CoA oxidase, and their enoyl-CoAs are then converted to 3-oxoacyl-CoAs by MFP-1, which forms (hydration) and dehydrogenates L-3(3S)-hydroxyacyl-CoAs; for example, straight chain acyl-CoAs are desaturated by palmitoyl-CoA oxidase (23), and their enoyl-CoAs are then converted to 3-oxoacyl-CoAs by 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35), which forms (hydration) and dehydrogenates L-3(3S)-hydroxyacyl-CoAs and their enoyl-CoAs are then converted to the corresponding 3-oxoacyl-CoAs by long-chain-enoyl-CoA hydratase(EC 4.2.1.74), which forms and dehydrogenates D-3(3R)-hydroxyacyl-CoAs. (PMID: 9325339). 3-Oxooctanoyl-CoA is the substrate of the acetyl-CoA C-acyltransferase/oxoacyl-CoA thiolase A (EC 2.3.1.16, SCP2/3-oxoacyl-CoA thiolase) present in peroxisomes from normal liver.

   

Linalyl diphosphate

3,7-Dimethylocta-1,6-dien-3-yl phosphono hydrogen phosphate

C10H20O7P2 (314.0684)


   

Oxalosuccinic acid

(2S)-1-oxopropane-1,2,3-tricarboxylic acid

C6H6O7 (190.0114)


Oxalosuccinic acid, also known as oxalosuccinate or 1-oxopropane-1,2,3-tricarboxylate, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Oxalosuccinic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Oxalosuccinic acid can be found in a number of food items such as japanese chestnut, poppy, wax apple, and hyssop, which makes oxalosuccinic acid a potential biomarker for the consumption of these food products. Oxalosuccinic acid exists in all living species, ranging from bacteria to humans. Oxalosuccinic acid/oxalosuccinate is an unstable 6-carbon intermediate in the tricarboxylic acid cycle. Its an alpha-keto compound, formed during the oxidative decarboxylation of isocitrate to alpha-ketoglutarate, which is catalyzed by the enzyme isocitrate dehydrogenase. Oxalosuccinate never leaves the active site of the enzyme, however; its unstable and immediately undergoes decarboxylation to produce the 5-carbon compound, alpha-ketoglutarate . Oxalosuccinate is a substrate for cytoplasmic Isocitrate dehydrogenase and mitochondiral Isocitrate dehydrogenase (mitochondrial).

   

Neurosporene

(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

C40H58 (538.4538)


Neurosporene, also known as all-trans-neurosporene or 7,8-dihydro-ψ,ψ-carotene, is a member of the class of compounds known as carotenes. Carotenes are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Thus, neurosporene is considered to be an isoprenoid lipid molecule. Neurosporene can be found in a number of food items such as chicory, poppy, silver linden, and towel gourd, which makes neurosporene a potential biomarker for the consumption of these food products. Neurosporene can be found primarily in blood and breast milk. Neurosporene is a carotenoid pigment. It is an intermediate in the biosynthesis of lycopene and a variety of bacterial carotenoids . Neurosporene is a triterpenoid carotenoid identified in human plasma, (PMID: 1416048), serum (PMID: 1416048), milk (PMID: 9164160), and tissues of the human eye (PMID: 11180970). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

AC1NOTCJ

Thiourocanic acid

C6H6N2O2S (170.015)


   

5-Hydroxykynurenine

2-Amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid

C10H12N2O4 (224.0797)


5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28]. [HMDB] 5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28].

   

N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole

(2S,5R)-2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C14H18N2O4 (278.1267)


N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole is an intermediate in riboflavin metabolism. It is converted from N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole via dephosphorylation by the enzyme phosphohistidine phosphatase 1 (EC 3.1.3.-). Humans do not have all the enzymes needed to synthesize or metabolize riboflavin. However, gut microflora do have the necessary enzymatic machinery to produce and metabolize this vitamin. Riboflavin (or vitamin B2) is an easily absorbed micronutrient with a key role in maintaining health in humans and animals. It is the central component of the cofactors FAD and FMN, and is therefore required by all flavoproteins. Riboflavin is yellow or yellow-orange in color and in addition to being used as a food coloring it is also used to fortify some foods including baby foods, breakfast cereals, pastas, sauces, processed cheese, fruit drinks, vitamin-enriched milk products, some energy drinks, and vitamin supplements. [HMDB] N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole is an intermediate in riboflavin metabolism. It is converted from N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole via dephosphorylation by the enzyme phosphohistidine phosphatase 1 (EC 3.1.3.-). Humans do not have all the enzymes needed to synthesize or metabolize riboflavin. However, gut microflora do have the necessary enzymatic machinery to produce and metabolize this vitamin. Riboflavin (or vitamin B2) is an easily absorbed micronutrient with a key role in maintaining health in humans and animals. It is the central component of the cofactors FAD and FMN, and is therefore required by all flavoproteins. Riboflavin is yellow or yellow-orange in color and in addition to being used as a food coloring it is also used to fortify some foods including baby foods, breakfast cereals, pastas, sauces, processed cheese, fruit drinks, vitamin-enriched milk products, some energy drinks, and vitamin supplements.

   

2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone

5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)cyclohexa-2,5-diene-1,4-dione

C48H72O3 (696.5481)


   

7-Hydroxy-6-methyl-8-ribityl lumazine

7-hydroxy-6-methyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,3,4,8-tetrahydropteridine-2,4-dione

C12H16N4O7 (328.1019)


7-Hydroxy-6-methyl-8-ribityl lumazine is an intermediate in Riboflavin metabolism. it is converted from 6,7-Dimethyl-8-(1-D-ribityl)lumazine. [HMDB] 7-Hydroxy-6-methyl-8-ribityl lumazine is an intermediate in Riboflavin metabolism. it is converted from 6,7-Dimethyl-8-(1-D-ribityl)lumazine.

   

ent-16-Kaurene

(4R,9R,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane

C20H32 (272.2504)


Phyllocladene is found in fats and oils. Phyllocladene is a constituent of sunflower oil.

   

nerolidol diphosphate

Nerolidyl pyrophosphate

C15H28O7P2 (382.131)


   

Salicin-6P

Salicin 6-phosphate; Salicin-6P

C13H19O10P (366.0716)


   

Molybdate

dihydroxydioxomolybdenumbis(ylium)

H2MoO4 (163.9007)


Molybdate is involved in the molybdenum cofactor biosynthesis pathway. Molybdate reacts with molybdopterin-AMP to produce molybdenum cofactor, AMP, and H2O. [HMDB]. Molybdate is found in many foods, some of which are okra, black raspberry, silver linden, and chinese chestnut. Molybdate is involved in the molybdenum cofactor biosynthesis pathway. Molybdate reacts with molybdopterin-AMP to produce molybdenum cofactor, AMP, and H2O.

   

N-Acetylneuraminate 9-phosphate

(4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

C11H20NO12P (389.0723)


N-Acetylneuraminate 9-phosphate is an intermediate in Aminosugars metabolism. N-Acetylneuraminate 9-phosphate is the 4th to last step in the synthesis of colominate and is converted from N-Acetyl-D-mannosamine-6-phosphate via the enzyme N-Acylneuraminate-9-phosphate synthase (EC 2.5.1.57). It is then converted to N-Acetylneuraminate via the enzyme N-acylneuraminate-9-phosphatase(EC 3.1.3.29). [HMDB] N-Acetylneuraminate 9-phosphate is an intermediate in Aminosugars metabolism. N-Acetylneuraminate 9-phosphate is the 4th to last step in the synthesis of colominate and is converted from N-Acetyl-D-mannosamine-6-phosphate via the enzyme N-Acylneuraminate-9-phosphate synthase (EC 2.5.1.57). It is then converted to N-Acetylneuraminate via the enzyme N-acylneuraminate-9-phosphatase(EC 3.1.3.29).

   

Deacetoxycephalosporin C

Deacetoxycephalosporin C; DAOC

C14H19N3O6S (357.0995)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

cis-2,3-Dihydro-2,3-dihydroxybiphenyl

(1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol

C12H12O2 (188.0837)


   

Erythronolide B

Erythronolide A, 12-deoxy-

C21H38O7 (402.2617)


   

Dihydroclavaminate

Dihydroclavaminic acid; Dihydroclavaminate

C8H12N2O4 (200.0797)


   

2-Aminoacetaldehyde

2-Aminoacetaldehyde

C2H5NO (59.0371)


   

2-Hydroxybiphenyl-2-sulfinate

2-Hydroxy-1,1-biphenyl-2-sulfinic acid

C12H10O3S (234.0351)


   

Tetracenomycin

Tetracenomycin C

C23H20O11 (472.1006)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

   

Isopropamide

(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium

C23H33N2O+ (353.2593)


Isopropamide is only found in individuals that have used or taken this drug. It is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.Anticholinergics are a class of medications that inhibit parasympathetic nerve impulses by selectively blocking the binding of the neurotransmitter acetylcholine to its receptor in nerve cells. The nerve fibers of the parasympathetic system are responsible for the involuntary movements of smooth muscles present in the gastrointestinal tract. Inhibition here decreases acidity and motility, aiding in the treatment of gastrointestinal disorders. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent

   

2,6-Dichlorohydroquinone

2,6-DICHLORO-1,4-HYDROQUINONE

C6H4Cl2O2 (177.9588)


   

3-METHYLBENZYL ALCOHOL

3-METHYLBENZYL ALCOHOL

C8H10O (122.0732)


   

Pipecuronium

Pipecuronium

C35H62N4O4+2 (602.4771)


D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists

   

dimethisterone

Dimethisterone; Dimethisterone anhydrous

C23H32O2 (340.2402)


C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents

   

Phthalylsulfathiazole

2-[[[4-[(2-Thiazolylamino)sulphonyl]phenyl]amino]carbonyl]benzoic acid

C17H13N3O5S2 (403.0297)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013432 - Sulfathiazoles D000890 - Anti-Infective Agents > D013424 - Sulfanilamides

   

Phenindamine

1H-Indeno(2,1-c)pyridine, 2,3,4,9-tetrahydro-2-methyl-9-phenyl-, hydrochloride

C19H19N (261.1517)


Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. It is used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold. Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Ethotoin

3-Ethyl-5-phenyl-imidazolidine-2,4-dione

C11H12N2O2 (204.0899)


Ethotoin is a hydantoin derivative and anticonvulsant. Ethotoin exerts an antiepileptic effect without causing general central nervous system depression. The mechanism of action is probably very similar to that of phenytoin. The latter drug appears to stabilize rather than to raise the normal seizure threshold, and to prevent the spread of seizure activity rather than to abolish the primary focus of seizure discharges. D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators

   

2-Aminobiphenyl-2,3-diol

2-Aminobiphenyl-2,3-diol

C12H11NO2 (201.079)


   

2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-2,4-dienoate

(2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid

C12H11NO4 (233.0688)


   

cefuroxime axetil

cefuroxime axetil

C20H22N4O10S (510.1057)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Kenacourt

Triamcinolone diacetate

C25H31FO8 (478.2003)


C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D004791 - Enzyme Inhibitors

   

Eutypine

Eutypine; 4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde

C12H10O2 (186.0681)


Eutypine is a member of the class of compounds known as hydroxybenzaldehydes. Hydroxybenzaldehydes are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. Eutypine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eutypine can be found in common grape, which makes eutypine a potential biomarker for the consumption of this food product.

   

Triacetylene

Triacetylene; 1,3,5-Hexatriyne

C6H2 (74.0156)


   

Cucumopine

(4S,6S)-4-(2-carboxyethyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4,6-dicarboxylic acid

C11H13N3O6 (283.0804)


Cucumopine, also known as mikimopine or cucumopine, (4r-cis)-isomer, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Cucumopine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cucumopine can be found in carrot and wild carrot, which makes cucumopine a potential biomarker for the consumption of these food products.

   

Indican

(2S,3R,4S,5S,6R)-2-((1H-Indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

C14H17NO6 (295.1056)


Indican is a colourless, water-soluble organic compound consisting of an indole ring conjugated to glucose. It is an indole glycoside. Its hydrolysis yields β-D-glucose and indoxyl. Indoles are compounds which consist of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. The oxidation of indican by a mild oxidizing agent, e.g. atmospheric oxygen or CYP450 enzymes, yields indigo dye which is blue in colour. Indican is a substance occurring naturally in the urine of humans and mammals and also in blood plasma as a normal metabolite of tryptophan. Tryptophan is first converted to indole by gut bacteria. Following absorption from the gut, indole is converted to 3-hydroxyindole (indoxyl or indican) in the liver, where it is again then conjugated with sulfuric acid or glucoronic acid through normal xenobiotic metabolism pathways. It is then transported to the kidneys for excretion. In individuals affected by the blue diaper syndrome (a rare, autosomal recessive metabolic disorder characterized in infants by bluish urine-stained diapers), the patients exhibit a defect in tryptophan metabolism, leading to an increase in indican synthesis. Indican is then excreted into the urine and from there into the diaper where, upon exposure to air, it is converted to indigo blue dye due to oxidation by atmospheric oxygen. An increased urinary excretion of indican is seen in Hartnup disease from the bacterial degradation of unabsorbed tryptophan (PMID: 19967017). Hartnup disease is an autosomal recessive metabolic disorder affecting the absorption of nonpolar amino acids (particularly tryptophan), which leads to excessive bacterial fermentation of tryptophan (to indole) in the gut. Indican has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Its excretion is decreased by the presence of Lactobacillus bacteria in the gut (PMID: 6785555 ). Indican is an indolyl carbohydrate, a beta-D-glucoside and an exopolysaccharide. Indican is a natural product found in Indigofera suffruticosa, Isatis tinctoria, and other organisms with data available. Indican is a toxic metabolite derived from dietary proteins and tryptophan. In the intestine, proteins and tryptophan are converted to indole by tryptophanase-expressing organisms. In the liver, indole is hydroxylated to form indoxyl and indoxyl is sufated to produce indican. Overproduction of indican is associated with glomerular sclerosis, interstitial fibrosis and renal failure. Indican is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. It is a colourless organic compound, soluble in water, naturally occurring in Indigofera plants. It is a precursor of indigo dye. Indican interferes with many commercial procedures for measuring total bilirubin[6] which can be a problem for renal failure patients where blood indican levels are raised. It can cause gastrointestinal symptoms in patients where protein absorption is reduced - like Hartnups disease, allowing for greater bacterial decomposition of the Tryptophan to indole and its conversion to indican.

   

Miserotoxin

ZINC01531158

C9H17NO8 (267.0954)


A beta-D-glucoside having 3-nitropropyl as the anomeric alkyl group.

   

Browniine

Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-

C25H41NO7 (467.2883)


   
   

Elatine

Aconitane-4-methanol, 20-ethyl-7,8-(methylenebis(oxy))-, 1,6,14,16-tetramethoxy-2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate(ester), (1-alpha,6-beta,14-alpha,16-beta)-

C38H50N2O10 (694.3465)


A diterpene alkaloid isolated from Delphinium shawurense.

   
   

Tremetone

Ethanone, 1-(2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl)-, (R)- (9CI)

C13H14O2 (202.0994)


   

Eburnamine

Eburnamenin-14-ol, 14,15-dihydro-, (14alpha)-

C19H24N2O (296.1889)


   

Ergine

Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-, (8.beta.)-

C16H17N3O (267.1372)


   

Ibogamine

CID 442109

C19H24N2 (280.1939)


A monoterpenoid indole alkaloid with formula C19H24N2. It is isolated from the flowering plant genus, Tabernaemontana and exhibits anti-addictive properties.

   

Salonitenolide

Salonitenolide

C15H20O4 (264.1362)


   

Illudin M

(-)-1alpha,7beta-dihydroxy-2,9-illudadien-8-one

C15H20O3 (248.1412)


   

alpha-Irone

4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one, 9ci

C14H22O (206.1671)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids alpha-Irone is a flavouring ingredien Flavouring ingredient

   

dolichodial

(1R,2S,5S)-2-(1-formylethenyl)-5-methylcyclopentanecarbaldehyde

C10H14O2 (166.0994)


A dialdehyde that is cyclopentanecarbaldehyde substituted by a methyl group at position 2 and a 3-oxo-prop-1-en-2yl group at position 5. It has been found to occur in pheromones of insects such as aphids.

   

Fulvoplumierin

Fulvoplumierin

C14H12O4 (244.0736)


   

2-hydroxycyclohexane-1-carbonyl-CoA

2-hydroxycyclohexane-1-carbonyl-CoA

C28H46N7O18P3S (893.1833)


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxycyclohexane-1-carboxylic acid.

   

Isogentisin

9H-Xanthen-9-one, 1,3-dihydroxy-7-methoxy- (9ci)

C14H10O5 (258.0528)


Isogentisin is found in alcoholic beverages. Isogentisin is isolated from roots of Gentiana lutea (yellow gentian

   

Oxyanin B

Oxyayanin-B

C18H16O8 (360.0845)


   

(+)-galbacin

(+)-galbacin

C20H20O5 (340.1311)


   
   

Multifidol

2-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one

C11H14O4 (210.0892)


A butanone that is the 2-methylbutanoyl derivative of phloroglucinol.

   

Grevillol

5-tridecylbenzene-1,3-diol

C19H32O2 (292.2402)


   

Trichocarpin

Trichocarpin

C20H22O9 (406.1264)


   

Simplexoside

(+)-Piperitol beta-glucoside

C26H30O11 (518.1788)


   

Bispyribac

Bispyribac

C19H18N4O8 (430.1125)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4218; ORIGINAL_PRECURSOR_SCAN_NO 4215 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4230; ORIGINAL_PRECURSOR_SCAN_NO 4228 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4222; ORIGINAL_PRECURSOR_SCAN_NO 4220 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8980; ORIGINAL_PRECURSOR_SCAN_NO 8978 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4228; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9013; ORIGINAL_PRECURSOR_SCAN_NO 9011 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8981; ORIGINAL_PRECURSOR_SCAN_NO 8979 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4239; ORIGINAL_PRECURSOR_SCAN_NO 4235 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4236; ORIGINAL_PRECURSOR_SCAN_NO 4234 INTERNAL_ID 162; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9005; ORIGINAL_PRECURSOR_SCAN_NO 9003 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9005; ORIGINAL_PRECURSOR_SCAN_NO 9003 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9025; ORIGINAL_PRECURSOR_SCAN_NO 9024 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9031; ORIGINAL_PRECURSOR_SCAN_NO 9028

   

m-Fluoroaniline

m-Fluoroaniline

C6H6FN (111.0484)


   

Etaconazole

Pesticide6_Etaconazole Isomer 1*_C14H15Cl2N3O2_1-{[2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole

C14H15Cl2N3O2 (327.0541)


   

Oligomycin C

Oligomycin C

C45H74O10 (774.5282)


An oligomycin with formula C45H74O10 that is oligomycin A in which the hydroxy group that is alpha- to a macrolide keto group has been replaced by a hydrogen. It is an inhibitor of the mitochondrial F1F0 ATP synthase. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D009840 - Oligomycins

   

Chromotropic acid

4,5-Dihydroxy-2,7-naphthalenedisulfonic acid

C10H8O8S2 (319.9661)


   

FA 7:3;O4

(2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid

C7H8O6 (188.0321)


   

N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide

IACI; N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide

C26H27IN6O3 (598.1189)


   

omega-COOH-LTE4NAc

omega-Carboxy-N-acetyl-LTE4; (7E,9E,11Z,14Z)-(5S,6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraen-1,20-dioate; omega-COOH-LTE4NAc

C25H37NO8S (511.224)


   

BPP 9a

ethyl4-ethoxy-6-methylnicotinate

C53H76N14O12 (1100.5767)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Same as: D06076 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

candoxatrilat

4-((2-Carboxy-3-(2-methoxyethoxy)propyl)-1-cyclopentanecarbonylamino)-1-cyclohexanecarboxylic acid

C20H33NO7 (399.2257)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

   

Ketobemidone

{1-[4-(m-hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone}

C15H21NO2 (247.1572)


Ketobemidone (Cliradon, Ketogan, Ketodur, Cymidon, Ketorax, &c.) is a powerful opioid analgesic. Its effectiveness against pain is in the same range as morphine, and it also has some NMDA-antagonist properties imparted by its metabolite norketobemidone. This makes it useful for some types of pain that dont respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is 25 mg of ketobemidone hydrobromide to 60 mg of morphine hydrochloride or sulfate and circa 8 mg of ketobemidone by injection. Ketobemidone is 1-methyl-4-(3-hydroxyphenyl)-4-propionylpiperidine. It is usually available as the hydrochloride, which is a white powder. It is synthesized by alkylating (3-methoxyphenyl)acetonitrile with bis(2-chloroethyl)methylamine, followed by reaction with ethylmagnesiumbromide, and finally O-demethylation with hydrobromic acid. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics Same as: D08100

   

Talactoferrin Alfa

3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide monomethanesulfonate, (trans)-(+-)-isomer

C19H26Cl2N2O (368.1422)


D000970 - Antineoplastic Agents

   

Tifluadom

N-{[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}thiophene-3-carboximidate

C22H20FN3OS (393.1311)


C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Same as: D02694

   

Candol B

[(1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl]methanol

C20H32O (288.2453)


Candol B, also known as 4beta-kaur-16-en-19-ol, belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by the cyclization of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Candol B is an extremely weak basic (essentially neutral) compound (based on its pKa). Candol B is found in cereals and cereal products. Candol B is a constituent of barley. Constituent of barley. Candol B is found in cereals and cereal products.

   

A 82846B

Chloroorienticin A

C73H88Cl2N10O26 (1590.5248)


   

CoA 10:5;O3

3,4-dihydroxy-5-methoxycinnamoyl-CoA;5-Hydroxyferuloyl-CoA;5-hydroxyferuloyl-coenzyme A;S-[3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoyl]-CoA;S-[3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoyl]-coenzyme A;S-[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]-CoA;S-[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]-coenzyme A;coenzyme A, S-(3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoate)

C31H44N7O20P3S (959.1575)


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 5-hydroxyferulic acid.

   

Cyclohexyl acetate

Cyclohexyl ester OF acetic acid

C8H14O2 (142.0994)


Cyclohexyl acetate, also known as adronal acetate, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Cyclohexyl acetate is a sweet, ethereal, and fruity tasting compound. Cyclohexyl acetate has been detected, but not quantified, in several different foods, such as brassicas, onion-family vegetables, pulses, and soy beans. Cyclohexyl acetate is a flavouring agent. It is found in many foods, some of which are pulses, soy bean, brassicas, and onion-family vegetables.

   

Dehydrorabelomycin

6-Hydroxytetrangulol

C19H12O5 (320.0685)


   

Auramycinone

SCHEMBL11062020

C21H18O8 (398.1002)


   

methyl aklanonate

Aklanonic acid methyl ester

C22H18O8 (410.1002)


   

aspoxicillin

aspoxicillin

C21H27N5O7S (493.1631)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D07469

   

Cephaloglycin

(6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C18H19N3O6S (405.0995)


Cephaloglycin is only found in individuals that have used or taken this drug. It is a cephalorsporin antibiotic.The bactericidal activity of cephaloglycin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D01949

   

Demanyl phosphate

Phosphodimethylethanolamine

C4H12NO4P (169.0504)


   

Myebrol

1,6-DIBROMO-1,6-DIDEOXY-D-MANNITOL

C6H12Br2O4 (305.9102)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents Same as: D02020

   

Dibromobisphenol A

3,3-Dibromobisphenol A

C15H14Br2O2 (383.936)


   

2,2-Bis(4-hydroxyphenyl)-1-propanol

2,2-Bis(4-hydroxyphenyl)-1-propanol

C15H16O3 (244.1099)


   

Dopamine 4-sulfate

4-(2-Aminoethyl)-1,2-benzenediol 1-(hydrogen sulphuric acid)

C8H11NO5S (233.0358)


Dopamine 4-sulfate is one of the metabolic products of the endogenous catecholamine dopamine which have also been implicated as intermediate in noradrenaline biosynthesis. In human blood circulation endogenous dopamine exists predominantly in the sulfated form and dopamine sulfate accounts for more than 90\\% of all dopamine. Sulfonation is the most important metabolic pathway that interferes with the binding of dopamine to its receptors. Dopamine-4-O-sulfate has concentrations about a 10th of those of the regioisomer dopamine-3-O-sulfate. It is believed that the vast majority of circulating dopamine sulfate originates in the upper gastrointestinal tract, and indeed that is the main site of expression of the enzyme responsible for its formation. Aryl sulfotransferase (SULT1A3, EC 2.8.2.1) is an enzyme that catalyzes the sulfonation of many endogenous and exogenous phenols and catechols; the most important endogenous substrate is dopamine. SULT1A3 strongly favors the 3-hydroxy group of dopamine over the 4-hydroxy group and may indeed be primarily responsible for the difference between the circulating levels of dopamine sulfates in human blood. (PMID: 17548063) [HMDB] Dopamine 4-sulfate is one of the metabolic products of the endogenous catecholamine dopamine which have also been implicated as intermediate in noradrenaline biosynthesis. In human blood circulation endogenous dopamine exists predominantly in the sulfated form and dopamine sulfate accounts for more than 90\\% of all dopamine. Sulfonation is the most important metabolic pathway that interferes with the binding of dopamine to its receptors. Dopamine-4-O-sulfate has concentrations about a 10th of those of the regioisomer dopamine-3-O-sulfate. It is believed that the vast majority of circulating dopamine sulfate originates in the upper gastrointestinal tract, and indeed that is the main site of expression of the enzyme responsible for its formation. Aryl sulfotransferase (SULT1A3, EC 2.8.2.1) is an enzyme that catalyzes the sulfonation of many endogenous and exogenous phenols and catechols; the most important endogenous substrate is dopamine. SULT1A3 strongly favors the 3-hydroxy group of dopamine over the 4-hydroxy group and may indeed be primarily responsible for the difference between the circulating levels of dopamine sulfates in human blood. (PMID: 17548063).

   

Tet-glycine

2-amino-2-(2H-tetrazol-5-yl)acetic acid

C3H5N5O2 (143.0443)


   

Emopamil

2-Isopropyl-5(methylphen-ethylamino)-2-phenylvaleronitrile hydrochloride

C23H30N2 (334.2409)


Emopamil is a drug that is a competitive inhibitor of 3β-hydroxysteroid-Δ8-Δ7-isomerase. 3β-hydroxysteroid-Δ8-Δ7-isomerase is involved in the formation of cholesterol from lanosterol. Emopamil is a calcium channel blocker. [HMDB] Emopamil is a drug that is a competitive inhibitor of 3β-hydroxysteroid-Δ8-Δ7-isomerase. 3β-hydroxysteroid-Δ8-Δ7-isomerase is involved in the formation of cholesterol from lanosterol. Emopamil is a calcium channel blocker. C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Caldarchaeol

[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol

C86H172O6 (1301.3153)


   

2,2',4,4',6,6'-Hexachlorobiphenyl

1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene

C12H4Cl6 (357.8444)


D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

   

3-Deoxyestradiol

3-Deoxy-17beta-estradiol

C18H24O (256.1827)


   

4-Dodecylphenol

4-n-Dodecylphenol

C18H30O (262.2297)


   

Diphenolic acid

4,4-Bis(4-hydroxyphenyl)pentanoic acid

C17H18O4 (286.1205)


   

2,3,4,5,6-Pentachlorobiphenyl

1,2,3,4,5-pentachloro-6-phenylbenzene

C12H5Cl5 (323.8834)


   

Monohydroxymethoxychlor

1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane

C15H13Cl3O2 (329.9981)


   

2-Hydroxydibenzofuran

2-Hydroxydibenzofuran

C12H8O2 (184.0524)


   

Bolasterone

(1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-2,9,14,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

C21H32O2 (316.2402)


Bolasterone is an anabolic androgenic steroid. Analysis of steroids in urine has been used to detect different hormonal actions in human beings such as testicular function in men, hyperandrogenic disorders in women and puberty problems in children, by the measurement of anabolic steroids, and some hormonal disorders such as adrenocortical adenoma and Cushing syndrome by the control of corticoids. This steroid have been included in the International Olympic Committee (IOC) doping list due to their illegal use in some sports and in the list of schedules drugs in several countries because of its use by young people. In addition, the examination of endogenous steroids profile provides information about the health and the use of exogenous steroids. Bolasterone is excreted as the original compound in human urine. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. The use of anabolic steroids was banned by the International Olympic Committee for the first time at the Olympic Games in Montreal in 1976. Since that time the misuse of anabolic steroids by athletes has been controlled by analysis of urine of the excreted steroids or their metabolites, or both. (PMID: 10892583, 10932808, 14976846, 15042372, 15231229, 3308301, 8456050, 8674183, 16040239) [HMDB] Bolasterone is an anabolic androgenic steroid. Analysis of steroids in urine has been used to detect different hormonal actions in human beings such as testicular function in men, hyperandrogenic disorders in women and puberty problems in children, by the measurement of anabolic steroids, and some hormonal disorders such as adrenocortical adenoma and Cushing syndrome by the control of corticoids. This steroid have been included in the International Olympic Committee (IOC) doping list due to their illegal use in some sports and in the list of schedules drugs in several countries because of its use by young people. In addition, the examination of endogenous steroids profile provides information about the health and the use of exogenous steroids. Bolasterone is excreted as the original compound in human urine. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. The use of anabolic steroids was banned by the International Olympic Committee for the first time at the Olympic Games in Montreal in 1976. Since that time the misuse of anabolic steroids by athletes has been controlled by analysis of urine of the excreted steroids or their metabolites, or both. (PMID: 10892583, 10932808, 14976846, 15042372, 15231229, 3308301, 8456050, 8674183, 16040239). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid Same as: D03144

   

Protandren

17alpha-methyl-5-androstene-3beta,17beta-diol

C20H32O2 (304.2402)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid Same as: D08196

   

4-t-Butylbenzoic acid

p-tert-Butylbenzoic acid

C11H14O2 (178.0994)


CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4630; ORIGINAL_PRECURSOR_SCAN_NO 4625 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4617; ORIGINAL_PRECURSOR_SCAN_NO 4616 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4640; ORIGINAL_PRECURSOR_SCAN_NO 4636 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4710; ORIGINAL_PRECURSOR_SCAN_NO 4706 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4650; ORIGINAL_PRECURSOR_SCAN_NO 4645 CONFIDENCE standard compound; INTERNAL_ID 218; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4623; ORIGINAL_PRECURSOR_SCAN_NO 4620

   

Karphos

ISOXATHION

C13H16NO4PS (313.0538)


CONFIDENCE standard compound; INTERNAL_ID 790; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9696; ORIGINAL_PRECURSOR_SCAN_NO 9695 CONFIDENCE standard compound; INTERNAL_ID 790; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9735; ORIGINAL_PRECURSOR_SCAN_NO 9730 CONFIDENCE standard compound; INTERNAL_ID 790; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9644; ORIGINAL_PRECURSOR_SCAN_NO 9642 CONFIDENCE standard compound; INTERNAL_ID 790; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9682; ORIGINAL_PRECURSOR_SCAN_NO 9680 CONFIDENCE standard compound; INTERNAL_ID 790; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9725; ORIGINAL_PRECURSOR_SCAN_NO 9724 CONFIDENCE standard compound; INTERNAL_ID 790; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9709; ORIGINAL_PRECURSOR_SCAN_NO 9708

   

4-chlorochalcone

2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-

C15H11ClO (242.0498)


   

Androstane-3,17-diol dipropionate

Androstane-3,17-diol dipropionate; 5alpha-Androstane-3alpha,17beta-diol dipropionate

C25H40O4 (404.2926)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

Oxymesterone

(1S,2R,10R,11S,14S,15S)-6,14-dihydroxy-2,14,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

C20H30O3 (318.2195)


Oxymesterone is an anabolic steroid abused by some athletes and is tested for in regular preventive doping control analysis. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. Oxymesterone and other steroids can be detected in human urine using liquid chromatography/electrospray ionization orthogonal acceleration time-of-flight mass spectrometry (LCoaTOFMS) and gas chromatography/electron ionization orthogonal acceleration time-of-flight mass spectrometry (GCoaTOFMS), using methods that have been developed in order to acquire accurate full scan MS data to be used to detect designer steroids. (PMID: 17610244, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475) [HMDB] Oxymesterone is an anabolic steroid abused by some athletes and is tested for in regular preventive doping control analysis. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. Oxymesterone and other steroids can be detected in human urine using liquid chromatography/electrospray ionization orthogonal acceleration time-of-flight mass spectrometry (LCoaTOFMS) and gas chromatography/electron ionization orthogonal acceleration time-of-flight mass spectrometry (GCoaTOFMS), using methods that have been developed in order to acquire accurate full scan MS data to be used to detect designer steroids. (PMID: 17610244, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475). C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid

   

1,1,1,2-Tetrachloroethane

1,1,1,2-TETRACHLOROETHANE

C2H2Cl4 (165.8911)


   

Naphthalene epoxide

1,2-Epoxy-1,2-dihydro-naphthalene

C10H8O (144.0575)


Naphthalene epoxide is an epoxide derivative of naphthalene. The toxicity of naphthalene has to do with the Phase I metabolism of this compound by cytochrome P450 monooxygenases. Deactivation of naphthalene involves epoxidation followed by glutathione conjugation and mercapturic acid formation. Naphthalene is stereoselectively metabolized to form (1R,2S)-Naphthalene epoxide and (1S,2R)-Naphthalene epoxide in the presence of CYP1A1 and CYP1A2, CYP2E1,CYP3A4 and CYP2A6. (PMID: 16959878) [HMDB] Naphthalene epoxide is an epoxide derivative of naphthalene. The toxicity of naphthalene has to do with the Phase I metabolism of this compound by cytochrome P450 monooxygenases. Deactivation of naphthalene involves epoxidation followed by glutathione conjugation and mercapturic acid formation. Naphthalene is stereoselectively metabolized to form (1R,2S)-Naphthalene epoxide and (1S,2R)-Naphthalene epoxide in the presence of CYP1A1 and CYP1A2, CYP2E1,CYP3A4 and CYP2A6. (PMID: 16959878).

   

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene

(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxy-8-nitro-1,2-dihydronaphthalen-1-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

C20H24N4O9S (496.1264)


This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

   

1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene

(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-8-nitro-1,2-dihydronaphthalen-2-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

C20H24N4O9S (496.1264)


This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

   

1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene

(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-5-nitro-1,2-dihydronaphthalen-2-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

C20H24N4O9S (496.1264)


This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

   

1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene

(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxy-5-nitro-1,2-dihydronaphthalen-1-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

C20H24N4O9S (496.1264)


This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

   

11H-14,15-EETA

(5Z,8Z,12E)-11-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,12-trienoic acid

C20H32O4 (336.23)


11H-14,15-EETA is an epoxyeicosatrienoic acid. Epoxyeicosatrienoic acids (EpETrEs) have been reported recently having vasodilatory effects and a role of P-450-dependent arachidonic acid monooxygenase metabolites is suggested in vasoregulation. The physiological role of this compound has not been totally established, although in other tissues EpETrEs are mainly involved in hormone production and in the vascular and renal systems. Some studies have implicated epoxygenase metabolites of arachidonic acid in the control of steroidogenesis in luteinised granulosa cells. (PMID: 12749593, 12361727, 1650001) [HMDB] 11H-14,15-EETA is an epoxyeicosatrienoic acid. Epoxyeicosatrienoic acids (EpETrEs) have been reported recently having vasodilatory effects and a role of P-450-dependent arachidonic acid monooxygenase metabolites is suggested in vasoregulation. The physiological role of this compound has not been totally established, although in other tissues EpETrEs are mainly involved in hormone production and in the vascular and renal systems. Some studies have implicated epoxygenase metabolites of arachidonic acid in the control of steroidogenesis in luteinised granulosa cells. (PMID: 12749593, 12361727, 1650001).

   

Benzo[a]pyrene-7,8-oxide

6-oxahexacyclo[11.6.2.0²,⁸.0⁵,⁷.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1,3,8,10(20),11,13(21),14,16,18-nonaene

C20H12O (268.0888)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine

S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine

C12H16N6O4S (340.0954)


   

Adopron

Estra-1,3,5(10)-trien-17-one

C18H22O (254.1671)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

17beta-Acetylestradiol

acetic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester

C20H26O3 (314.1882)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones β-Estradiol 17-acetate is a metabolite of estradiol. Target: Others β-Estradiol 17-acetate is a metabolite of estradiol.

   

1-deoxy-L-glycero-tetrulose 4-phosphate

1-Deoxy-L-glycero-tetrulose 4-phosphoric acid

C4H9O6P (184.0137)


1-deoxy-l-glycero-tetrulose 4-phosphate, also known as 3,4-dihydroxy-2-butanone 4-phosphate or 2-hydroxy-3-oxobutyl phosphate, is a member of the class of compounds known as monoalkyl phosphates. Monoalkyl phosphates are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. 1-deoxy-l-glycero-tetrulose 4-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 1-deoxy-l-glycero-tetrulose 4-phosphate can be found in a number of food items such as chinese chives, carob, fruits, and cherimoya, which makes 1-deoxy-l-glycero-tetrulose 4-phosphate a potential biomarker for the consumption of these food products. 1-deoxy-l-glycero-tetrulose 4-phosphate exists in E.coli (prokaryote) and yeast (eukaryote).

   
   
   

Coelichelin

Coelichelin

C21H39N7O11 (565.2707)


A tetrapeptide hydroxamate siderophore that is isolated from Streptomyces coelicolor.

   

Campestanol

(1S,2S,10R,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol

C28H50O (402.3861)


Campestanol is plant stanol. It can decrease the circulating LDL-cholesterol level by reducing intestinal cholesterol absorption. (PMID 8143759). Constituent of coffee and of pot marigold (Calendula officinalis)

   

3-hydroxyoctadecanoyl-CoA

{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxyoctadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C39H70N7O18P3S (1049.3711)


3-hydroxyoctadecanoyl-CoA is a human metabolite involved in the fatty acid elongation in mitochondria pathway. The enzyme long-chain-3-hydroxyacyl-CoA dehydrogenase catalyzes the conversion of 3-Oxododecanoyl-CoA to (S)-3-Hydroxydodecanoyl-CoA.3-hydroxyoctadecanoyl-CoA is an intermediate in fatty acid metabolism, being the substrate of the enzymes beta-hydroxyacyl-CoA dehydrogenase and 3-hydroxyacyl-CoA dehydrogenase [EC 1.1.1.211-1.1.1.35]; 3-hydroxyoctadecanoyl-CoA is an intermediate in fatty acid elongation in mitochondria, the substrate of the enzymes enoyl-CoA hydratase and long-chain-enoyl-CoA hydratase [EC 4.2.1.17-4.2.1.74]. (KEGG).

   

6alpha-Hydroxymaackiain

5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaene-1,16-diol

C16H12O6 (300.0634)


Isolated from leaves of Trifolium pratense (red clover) as a phytoalexin. 6alpha-Hydroxymaackiain is found in many foods, some of which are pulses, tea, common pea, and herbs and spices. 6alpha-Hydroxymaackiain is found in common pea. 6alpha-Hydroxymaackiain is isolated from leaves of Trifolium pratense (red clover) as a phytoalexin.

   

Cyclopropanecarboxylic acid

Cyclopropane carboxylic acid

C4H6O2 (86.0368)


   

7,8-Dihydro-beta-carotene

7,8-Dihydro-beta,beta-carotene

C40H58 (538.4538)


A cyclic carotene that is beta-carotene which the double bond between positions 7 and 8 has been hydrogenated.

   

FA 18:4;O

(9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate;(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid

C18H28O3 (292.2038)


A long-chain, divinyl ether fatty acid composed of 8-nonenoic acid in which the E-hydrogen at position 9 is substituted by a (1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy group.

   
   

5-Methylhex-4-enoyl-CoA

5-Methylhex-4-enoyl-CoA; (Acyl-CoA); [M+H]+

C28H46N7O17P3S (877.1884)


   

Docosanoyl-CoA

{[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(docosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

C43H78N7O17P3S (1089.4388)


Docosanoyl-CoA is an acyl-CoA with the C-22 fatty acid Acyl chain moiety. Acyl-CoA (or formyl-CoA) is a coenzyme involved in the metabolism of fatty acids. It is a temporary compound formed when coenzyme A (CoA) attaches to the end of a long-chain fatty acid, inside living cells. The CoA is then removed from the chain, carrying two carbons from the chain with it, forming acetyl-CoA. This is then used in the citric acid cycle to start a chain of reactions, eventually forming many adenosine triphosphates. To be oxidatively degraded, a fatty acid must first be activated in a two-step reaction catalyzed by acyl-CoA synthetase. First, the fatty acid displaces the diphosphate group of ATP, then coenzyme A (HSCoA) displaces the AMP group to form an Acyl-CoA. The acyladenylate product of the first step has a large free energy of hydrolysis and conserves the free energy of the cleaved phosphoanhydride bond in ATP. The second step, transfer of the acyl group to CoA (the same molecule that carries acetyl groups as acetyl-CoA), conserves free energy in the formation of a thioester bond. Consequently, the overall reaction Fatty acid + CoA + ATP <=> Acyl-CoA + AMP + PPi has a free energy change near zero. Subsequent hydrolysis of the product PPi (by the enzyme inorganic pyrophosphatase) is highly exergonic, and this reaction makes the formation of acyl-CoA spontaneous and irreversible. Fatty acids are activated in the cytosol, but oxidation occurs in the mitochondria. Because there is no transport protein for CoA adducts, acyl groups must enter the mitochondria via a shuttle system involving the small molecule carnitine. Docosanoyl-CoA is a acyl-CoA with the C-22 fatty acid Acyl chain moiety.

   

Lignocericyl coenzyme A

(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(tetracosanoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid

C45H82N7O17P3S (1117.4701)


This compound belongs to the family of Acyl CoAs. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.

   

N-Didesmethyl-tamoxifen

2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethan-1-amine

C24H25NO (343.1936)


N-Didesmethyl-tamoxifen is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)

   

3-Dechloroethylifosfamide

N-(2-Chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine

C5H12ClN2O2P (198.0325)


3-Dechloroethylifosfamide is an inactive metabolite of the antitumour, alkylating drug Ifosfamide. It is a member of the compound class called oxazaphosphorines Oxazaphosphorines are any saturated six-membered heterocycle containing three carbon atoms and one each of oxygen, nitrogen and phosphorus, especially one in which the phosphorus atom is linked to both the nitrogen and oxygen atoms. It is formed from its side-chain oxidation leading to the liberation of chloroacetaldehyde (PMID: 9054957). 3-dechloroethylifosfamide can be biosynthesized from ifosfamide through the action of several CYP450 enzymes including CYP3A4, CYP3A5, and CYP2B6 (PMID: 15875221). The duration of ifosfamide infusion influences the amount of 3-dechloroethylifosfamide that is produced (PMID: 11408362). 3-dechloroethylifosfamide is only found in individuals who have consumed or received the drug Ifosfamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

   

Aldoifosfamide

3-({bis[(2-chloroethyl)amino]phosphoryl}oxy)propanal

C7H15Cl2N2O3P (276.0197)


Aldoifosfamide is a metabolite of ifosfamide. Ifosfamide (pronounced eye. fos. fa. mide) (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia)

   

Aminopropylcadaverine

N-(3-Aminopropyl)-1,5-pentanediamine

C8H21N3 (159.1735)


Aminopropylcadaverine,a polyamine, is the final product of aminopropylcadaverine biosynthesis pathway. Polyamines are important for cell growth and are believed to be involved in many processes including DNA, RNA, and protein synthesis, as well as membrane integrity and resistance to stress, to name a few. Cadaverine and aminopropylcadaverine are alternative polyamines that can at least partially substitute for purtrescine and spermidine, the primary polyamines found in E. coli. Lysine is decarboxylated to form cadaverine which is then converted to aminopropylcadaverine by the aminopropyltransferase, SpeE. [HMDB] Aminopropylcadaverine,a polyamine, is the final product of aminopropylcadaverine biosynthesis pathway. Polyamines are important for cell growth and are believed to be involved in many processes including DNA, RNA, and protein synthesis, as well as membrane integrity and resistance to stress, to name a few. Cadaverine and aminopropylcadaverine are alternative polyamines that can at least partially substitute for purtrescine and spermidine, the primary polyamines found in E. coli. Lysine is decarboxylated to form cadaverine which is then converted to aminopropylcadaverine by the aminopropyltransferase, SpeE.

   

Mannopine

AGN-PC-0OKTBE

C11H22N2O8 (310.1376)


A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens.

   

Baldrinal

Cyclopenta[c]pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate

C12H10O4 (218.0579)


Baldrinal is an arenecarbaldehyde. Baldrinal is a natural product found in Nardostachys jatamansi, Valeriana officinalis, and other organisms with data available. Baldrinal is derived from the extracts of valerian rhizomes and roots, inhibits autonomic activity, and has anti-inflammatory effects[1].

   

Ophiobolene

Ophiobolin F; Ophiobolene

C25H42O (358.3235)


A sesterterpenoid that is (7Z)-ophiobola-7,19-diene carrying a hydroxy substituent at position 3.

   

Hydroxypyruvaldehyde phosphate

Hydroxypyruvaldehyde phosphate

C3H5O6P (167.9824)


   

Gonyautoxin II

{4-[(carbamoyloxy)methyl]-10,10-dihydroxy-2,6-diimino-hexahydro-1H-pyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid

C10H17N7O8S (395.0859)


Gonyautoxin III is found in mollusks. Gonyautoxin III is from Gonyaulax and Protogonyaulax species. From Gonyaulax and Protogonyaulax subspecies Gonyautoxin II is found in mollusks. D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D011042 - Poisons > D014688 - Venoms

   

carthamidin

4,5,7,8-TETRAHYDROXYFLAVANONE

C15H12O6 (288.0634)


   

Homomethionine

(2S)-2-Amino-5-(methylsulfanyl)pentanoic acid

C6H13NO2S (163.0667)


Homomethionine (CAS: 6094-76-4) belongs to the class of organic compounds known as alpha-amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Homomethionine is possibly neutral. Homomethionine has been detected, but not quantified in, several different foods, such as lima beans, red huckleberries, catjang pea, Chinese chestnuts, and pepper (C. annuum). This could make homomethionine a potential biomarker for the consumption of these foods. Homomethionine is found in brassicas and is isolated from cabbage and horseradish. Isolated from cabbage and horseradish. L-2-Amino-5-(methylthio)pentanoic acid is found in many foods, some of which are pepper (c. frutescens), vanilla, cauliflower, and pineappple sage.

   

Clavam-2-carboxylate

Clavam-2-carboxylate

C6H7NO4 (157.0375)


   

Multifloein B

Multifloein B

C27H30O15 (594.1585)


   

Leukoaminochrome

2,3-Dihydro-5,6-dihydroxyindole

C8H9NO2 (151.0633)


Leukoaminochrome is formed by cyclization of dopamine o-quinone to dopaminochrome. Oxidation of leukoaminochrome to dopaminochrome and polymerization of dopaminochrome to neuromelanin . The DA oxidation can occur spontaneously, is accelerated by transition metal ions (Mn2+ or Fe2+), or can be catalyzed by a number of different enzymes [HMDB] Leukoaminochrome is formed by cyclization of dopamine o-quinone to dopaminochrome. Oxidation of leukoaminochrome to dopaminochrome and polymerization of dopaminochrome to neuromelanin. The DA oxidation can occur spontaneously, is accelerated by transition metal ions (Mn2+ or Fe2+), or can be catalyzed by a number of different enzymes.

   

Cerebronic acid

2-Hydroxytetraeicosanoic acid

C24H48O3 (384.3603)


Constituent of various glycosphingolipids of wheat, corn and other plant subspecies Cerebronic acid is found in peanut and cereals and cereal products. D-Cerebronic acid is found in mushrooms. D-Cerebronic acid is isolated from Polyporus umbellatus (zhu ling).

   

Albaflavenone

(+)-epi-isozizaen-5-one;(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-one

C15H22O (218.1671)


A carbotricyclic compound that is (+)-epi-isozizaene in which the hydrogens at position 5 have been replaced by an oxo group.

   

5alpha-Dihydrodeoxycorticosterone

(1S,2S,7S,10R,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

C21H32O3 (332.2351)


This compound belongs to the family of Gluco/mineralocorticoids, Progestogins and Derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.

   

(S)-3-Hydroxyisobutyryl-CoA

{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C25H42N7O18P3S (853.152)


(S)-3-Hydroxyisobutyryl-CoA is s metabolite of 3-hydroxyisobutyryl-CoA hydrolase (EC 3.1.2.4 ) during beta-alanine metabolism (KEGG 00410), propanoate metabolism (KEGG 00640), and valine, leucine and isoleucine degradation (KEGG 00280). Deficiencies of this enzyme in valine degradation can result in hypotonia, poor feeding, motor delay, and subsequent neurological regression in infancy, episodes of ketoacidosis and Leigh-like changes in the basal ganglia on a magnetic resonance imaging scan (PMID 17160907). [HMDB] (S)-3-Hydroxyisobutyryl-CoA is s metabolite of 3-hydroxyisobutyryl-CoA hydrolase (EC 3.1.2.4 ) during beta-alanine metabolism (KEGG 00410), propanoate metabolism (KEGG 00640), and valine, leucine and isoleucine degradation (KEGG 00280). Deficiencies of this enzyme in valine degradation can result in hypotonia, poor feeding, motor delay, and subsequent neurological regression in infancy, episodes of ketoacidosis and Leigh-like changes in the basal ganglia on a magnetic resonance imaging scan (PMID 17160907).

   

4'-Hydroxyflavanone

2,3-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

C15H12O3 (240.0786)


4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1].

   

Ergostanol

(24S)24-Methylcholestan-3beta-ol

C28H50O (402.3861)


   

Liquiritigenin

4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-

C15H12O4 (256.0736)


4,7-dihydroxyflavanone is a dihydroxyflavanone in which the two hydroxy substituents are located at positions 4 and 7. It has a role as a Brassica napus metabolite and a fungal xenobiotic metabolite. It is a dihydroxyflavanone, a polyphenol and a member of 4-hydroxyflavanones. It is functionally related to a flavanone. 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)- is a natural product found in Pterocarpus marsupium, Pterocarpus macrocarpus, and other organisms with data available. A dihydroxyflavanone in which the two hydroxy substituents are located at positions 4 and 7. (±)-Liquiritigenin ((±)-4',7-Dihydroxyflavanone) is isolated from Angelica keiskei, a hardy perennial herb of the Umbelliferae family. (±)-Liquiritigenin promotes cell proliferation, has cytoprotective activity and reduces cytotoxicity, and also has antioxidant stress effects[1]. (±)-Liquiritigenin ((±)-4',7-Dihydroxyflavanone) is isolated from Angelica keiskei, a hardy perennial herb of the Umbelliferae family. (±)-Liquiritigenin promotes cell proliferation, has cytoprotective activity and reduces cytotoxicity, and also has antioxidant stress effects[1].

   

Ribonolactone

(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one

C5H8O5 (148.0372)


Ribonolactone, also known as D-ribono-1,4-lactone is a five-membered form of ribonolactone having D-configuration. It has a role as a metabolite. It is a ribonolactone and a butan-4-olide. It derives from a D-ribonic acid. Ribonolactone belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Ribonolactone is a metabolite normally not detectable in human biofluids; however, it has been found in the urine of patients with neuroblastoma. Ribonolactone is a metabolite normally not detectable in human biofluids; however, it has been found in the urine of patients with neuroblastoma. (PMID 699273) [HMDB] D-Ribonolactone is sugar lactone and an inhibitor of β-galactosidase of Escherichia coli with a Ki of 26 mM[1].

   

18R-HEPE

(5Z,8Z,11E,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid

C20H30O3 (318.2195)


18R-HEPE which is the R form of 18(+/-)-HEPE, is produced by non-enzymatic oxidation of EPA. [HMDB] 18R-HEPE which is the R form of 18(+/-)-HEPE, is produced by non-enzymatic oxidation of EPA.

   

5beta-Coprostanol

(1S,2S,5S,7R,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol

C27H48O (388.3705)


Coprosterol or coprostanol is a cholesterol derivative found in human feces, gallstones, eggs, and other biological matter. Coprosterol is the odorous principle of feces. It is formed from the biohydrogenation of cholesterol (cholest-5en-3β-ol) in the gut of most higher animals and birds. This compound has frequently been used as a biomarker for the presence of human faecal matter in the environment. American physician Austin Flint named it stercorin (Wikipedia). The transformation of cholesterol into coprosterol in its passage through the body involves a reduction of the C5:C6 double bond, and a transition from the allocholanic- to the cholanic-ring system. Although it is established that the bacterial flora of the intestine is concerned in the reduction process, the mechanism by which the stereochemical change is brought about is unknown. Current data suggests that cholestenone and coprostanone, and not cholesterol itself, are the immediate precursors of coprosterol which is formed from them in the intestine by bacterial reduction. Coprosterol is also a microbial metabolite, it can be produced by Lactobacillus (PMID: 20338415). Coprosterol or coprostanol is a cholesterol derivative found in human feces, gallstones, eggs, and other biological matter. Coprosterol is the odorous principle of feces. It is formed from the biohydrogenation of cholesterol (cholest-5en-3β-ol) in the gut of most higher animals and birds. This compound has frequently been used as a biomarker for the presence of human faecal matter in the environment. American physician Austin Flint named it stercorin . The transformation of cholesterol into coprosterol in its passage through the body involves a reduction of the C5:C6 double bond, and a transition from the allocholanic- to the cholanic-ring system. Although it is established that the bacterial flora of the intestine is concerned in the reduction process, the mechanism by which the stereochemical change is brought about is unknown. Current data suggests that cholestenone and coprostanone, and not cholesterol itself, are the immediate precursors of coprosterol which is formed from them in the intestine by bacterial reduction. [HMDB] Same as: D01527

   

(±)-2-Hydroxy-2-phenylacetonitrile

(R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE

C8H7NO (133.0528)


(±)-2-Hydroxy-2-phenylacetonitrile, also known as mandelonitrile, alpha-hydroxybenzeneacetonitrile or benzal dehyde cyanohydrin, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Mandelonitrile is a chemical compound of the cyanohydrin class. Hydroxy-2-phenylacetonitrile is a potentially toxic compound. The primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. (±)-2-Hydroxy-2-phenylacetonitrile has been detected, but not quantified, in fruits. This could make (±)-2-hydroxy-2-phenylacetonitrile a potential biomarker for the consumption of these foods. (±)-2- Oxygen therapy can also be administered. Isolated from peach kernels (Prunus persica). (±)-2-Hydroxy-2-phenylacetonitrile is found in fruits.

   

CMP-N-glycoloyl-beta-neuraminate(2-)

2-[({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-[(1,2-dihydroxyethylidene)amino]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

C20H31N4O17P (630.1422)


CMP-N-glycoloyl-beta-neuraminate(2-) is also known as CMP-N-Glycoloyl-beta-neuraminic acid. CMP-N-glycoloyl-beta-neuraminate(2-) is considered to be soluble (in water) and acidic

   

N-Acetylneuraminic acid 9-phosphate

(4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

C11H20NO12P (389.0723)


N-Acetylneuraminic acid 9-phosphate is an intermediate in the synthesis of Acetylneuraminic acid, a process occurring in the cytosolic fraction by the human enzyme N-Acetylneuraminic acid 9-phosphate (Neu5Ac 9-P) synthase, that catalyzes the synthesis of N-Acetylneuraminic acid 9-phosphate, in a reaction by the mechanism of aldol condensation of phosphoenolpyruvate (PEP) with sugar substrates, ManNAc-6-P (N-acetylmannosamine 6-phosphate) or Man-6-P (mannose 6-phosphate). N-Acetylneuraminic acid 9-phosphate is converted to N-Acetylneuraminic acid by the enzyme N-acetylneuraminate-9-phosphate phosphatase. (PMID: 16503877, 6093772) [HMDB] N-Acetylneuraminic acid 9-phosphate is an intermediate in the synthesis of Acetylneuraminic acid, a process occurring in the cytosolic fraction by the human enzyme N-Acetylneuraminic acid 9-phosphate (Neu5Ac 9-P) synthase, that catalyzes the synthesis of N-Acetylneuraminic acid 9-phosphate, in a reaction by the mechanism of aldol condensation of phosphoenolpyruvate (PEP) with sugar substrates, ManNAc-6-P (N-acetylmannosamine 6-phosphate) or Man-6-P (mannose 6-phosphate). N-Acetylneuraminic acid 9-phosphate is converted to N-Acetylneuraminic acid by the enzyme N-acetylneuraminate-9-phosphate phosphatase. (PMID: 16503877, 6093772).

   

Phosphodimethylethanolamine

Phosphoric acid, mono(2-(dimethylamino)ethyl) ester

C4H12NO4P (169.0504)


Phosphomonomethylethanolamine, phosphodimethylethanolamine and phosphocholine were weak competitive inhibitors of the cytidylyltransferase catalyzed reaction when phosphoethanolamine was used as a substrate, with Ki values of 7.0, 6.8 and 52.9 mM, respectively. (PMID: 8130268) Unlike the plant and Plasmodium PEAMT, which catalyze all three methylations in the pathway, PMT-2 catalyzes only the last two steps in the pathway, i.e., the methylation of phosphomonomethylethanolamine (P-MME) to phosphodimethylethanolamine (P-DME) and of P-DME to phosphocholine. (PMID: 16681378)

   

Calusterone

(1S,2R,9S,10R,11S,14S,15S)-14-hydroxy-2,9,14,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

C21H32O2 (316.2402)


Calusterone is an androgenic steroid. Calusterone induce given orally induce a marked decrease (between 30 and 70\\% depending on the dose) in the binding capacity of oestradiol-17beta to specific uterine receptors in vivo. As an androgen, calusterone has been used as a therapeutic agent in postmenopausal women with metastatic breast cancer; the addition of a potent hormonal agent to effective cytotoxic chemotherapy improves the results of treatment of women with metastatic breast cancer. Calusterone is tested in sport screening; fast and sensitive method for the comprehensive screening of anabolic agents and other banned doping substances using gas chromatography/tandem mass spectrometry (GC/MS/MS) with an external ionization ion trap mass spectrometer have been developed for the parent substances and their metabolites. (PMID: 17610244, 12375280, 153787, 2325376, 12375280) [HMDB] Calusterone is an androgenic steroid. Calusterone induce given orally induce a marked decrease (between 30 and 70\\% depending on the dose) in the binding capacity of oestradiol-17beta to specific uterine receptors in vivo. As an androgen, calusterone has been used as a therapeutic agent in postmenopausal women with metastatic breast cancer; the addition of a potent hormonal agent to effective cytotoxic chemotherapy improves the results of treatment of women with metastatic breast cancer. Calusterone is tested in sport screening; fast and sensitive method for the comprehensive screening of anabolic agents and other banned doping substances using gas chromatography/tandem mass spectrometry (GC/MS/MS) with an external ionization ion trap mass spectrometer have been developed for the parent substances and their metabolites. (PMID: 17610244, 12375280, 153787, 2325376, 12375280). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid Same as: D03144

   

(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid

(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecadienoic acid

C18H32O4 (312.23)


(9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate, also known as 9(S)-hpod or 9-hydroperoxy-11,12-octadecadienoic acid, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, (9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate is considered to be an octadecanoid lipid molecule (9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate can be found in a number of food items such as burdock, oat, parsnip, and cocoa bean, which makes (9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate a potential biomarker for the consumption of these food products. (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid, also known as 9(S)-HPOD or (9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate, is classified as a lineolic acid or a Lineolic acid derivative. Lineolic acids are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid is considered to be practically insoluble (in water) and acidic. (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid is an octadecanoid lipid molecule. (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid can be found throughout numerous foods such as Barley, Prunus (Cherry, Plum), Cherimoya, and Prairie turnips D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides

   

5-phospho-beta-D-ribosylaminium(1-)

[(5-amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid

C5H12NO7P (229.0351)


5-phospho-beta-D-ribosylaminium(1-) is considered to be soluble (in water) and acidic

   

Racemethorphan

4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5-triene

C18H25NO (271.1936)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents

   

cryptophycin

10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

C35H43ClN2O8 (654.2708)


   

1,2-Cyclohexanediol

1,2-Cyclohexanediol, (trans)-isomer

C6H12O2 (116.0837)


   

N-(N-(N-((Hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-D-tryptophyl)-D-tryptophan

2-({2-[(2-{[(azepan-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene}amino)-3-(1H-indol-3-yl)propanoate

C35H44N6O5 (628.3373)


   

2-Amino-3-hydroxy-3-phenylpropanoic acid

(2Rs,3Sr)-2-amino-3-Hydroxy-3-phenylpropanoic acid

C9H11NO3 (181.0739)


   

N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide

Benzenesulfonamide,N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-

C17H18ClNO3S (351.0696)


   

Dilacor XR

5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate

C22H26N2O4S (414.1613)


D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

2-[6-Fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid

2-{5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl}acetic acid

C20H17FO3S (356.0882)


   

4-(Phosphonomethyl)piperidine-2-carboxylic acid

4-(Phosphonomethyl)-2-piperidinecarboxylic acid

C7H14NO5P (223.061)


   

Ansamitocin P-3

11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate

C32H43ClN2O9 (634.2657)


   

Durabolin

15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl 3-phenylpropanoate

C27H34O3 (406.2508)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

cefuroxime axetil

1-{3-[(carbamoyloxy)methyl]-7-[2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}ethyl acetate

C20H22N4O10S (510.1057)


   

Diphenyl sulfide

(Phenylsulphanyl)benzene

C12H10S (186.0503)


   

Histidinyl-Leucine

2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-4-methylpentanoate

C12H20N4O3 (268.1535)


   

Methyl red

2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzoic acid

C15H15N3O2 (269.1164)


D004396 - Coloring Agents

   

Verlukast

3-[({3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl)sulfanyl]propanoic acid

C26H27ClN2O3S2 (514.1152)


   

N-acetyl Leukotriene E4

6-({2-carboxy-2-[(1-hydroxyethylidene)amino]ethyl}sulphanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C25H39NO6S (481.2498)


   

Oleoyl coenzyme A

4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(octadec-9-enoylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid

C39H68N7O17P3S (1031.3605)


   

Dimboa glucoside

(2R)-4-hydroxy-7-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C15H19NO10 (373.1009)


Dimboa glucoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Dimboa glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Dimboa glucoside can be found in common wheat and corn, which makes dimboa glucoside a potential biomarker for the consumption of these food products.

   

ent-16-Kauren-19-ol

{5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl}methanol

C20H32O (288.2453)


ent-16-Kauren-19-ol, also known as ent-kaurenol or kaur-16-en-18-ol, belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. ent-16-Kauren-19-ol is an extremely weak basic (essentially neutral) compound (based on its pKa).

   

alpha-fenchyl alcoholalpha-1,3,3-trimethyl-norbornan-2-ol

alpha-fenchyl alcoholalpha-1,3,3-trimethyl-norbornan-2-ol

C10H18O (154.1358)


Fenchol or 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Fenchol is a naturally occurring bicyclic monoterpenoid and an isomer of Borneol. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-eritritol-phosphate (MEP) pathway in the plastids. Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclation reactions to yield a diverse number of cyclic arrangements. Fenchol is an extremely weak basic (essentially neutral) compound (based on its pKa). It is a colorless or white solid with a characteristic scent found in basil and Aster. Fenchol is used extensively in perfumery. Flavouring compound [Flavornet]

   

(S)-3-hydroxydecanoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C31H54N7O18P3S (937.2459)


(s)-3-hydroxydecanoyl-coa, also known as 3-oh 10:0-coa or beta-hydroxydecanoyl coenzyme a, is a member of the class of compounds known as (s)-3-hydroxyacyl coas (s)-3-hydroxyacyl coas are organic compounds containing a (S)-3-hydroxyl acylated coenzyme A derivative (s)-3-hydroxydecanoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). (s)-3-hydroxydecanoyl-coa can be found in a number of food items such as black crowberry, pomegranate, deerberry, and winter savory, which makes (s)-3-hydroxydecanoyl-coa a potential biomarker for the consumption of these food products (s)-3-hydroxydecanoyl-coa may be a unique S.cerevisiae (yeast) metabolite.

   

oxalosuccinate

1-oxopropane-1,2,3-tricarboxylic acid

C6H6O7 (190.0114)


Oxalosuccinic acid, also known as oxalosuccinate or 1-oxopropane-1,2,3-tricarboxylate, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Oxalosuccinic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Oxalosuccinic acid can be found in a number of food items such as japanese chestnut, poppy, wax apple, and hyssop, which makes oxalosuccinic acid a potential biomarker for the consumption of these food products. Oxalosuccinic acid exists in all living species, ranging from bacteria to humans. Oxalosuccinic acid/oxalosuccinate is an unstable 6-carbon intermediate in the tricarboxylic acid cycle. Its an alpha-keto compound, formed during the oxidative decarboxylation of isocitrate to alpha-ketoglutarate, which is catalyzed by the enzyme isocitrate dehydrogenase. Oxalosuccinate never leaves the active site of the enzyme, however; its unstable and immediately undergoes decarboxylation to produce the 5-carbon compound, alpha-ketoglutarate .

   

Tiglic acid

4-02-00-01552 (Beilstein Handbook Reference)

C5H8O2 (100.0524)


A 2-methylbut-2-enoic acid having its double bond in trans-configuration. Tiglic acid is a monocarboxylic unsaturated organic acid found in croton oil and in several other natural products. Tiglic aci has a role as a plant metabolite[1]. Tiglic acid is a monocarboxylic unsaturated organic acid found in croton oil and in several other natural products. Tiglic aci has a role as a plant metabolite[1].

   

3,5-Dibromo-4-hydroxybenzoic acid

3,5-Dibromo-4-hydroxybenzoic acid

C7H4Br2O3 (293.8527)


A monohydroxybenzoic acid that is p-salicylic acid with bromo- substituents at C-3 and C-5 of the benzene ring.

   

MANDELIC ACID

L-(+)-Mandelic acid

C8H8O3 (152.0473)


B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives A 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups. D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. Mandelic acid ((±)-Mandelic acid), an alpha-hydroxycarboxylic acid, has been widely used as an intermediate of pharmaceutical and fine chemicals. Mandelic acid shows antimicrobial activity and has been used for the research of urinary tract infections and vaginal trichomoniasis. Mandelic acid exhibits high sperm-immobilizing activity and low vaginal irritation[1][2].

   

Asebogenin

1- (2,6-Dihydroxy-4-methoxyphenyl) -3- (4-hydroxyphenyl) -1-propanone

C16H16O5 (288.0998)


A member of the class of dihydrochalcones that is the 4-methyl ether derivative of phloretin.

   

(S)-3-Hydroxy-N-methylcoclaurine

(S)-3-Hydroxy-N-methylcoclaurine

C18H21NO4 (315.1471)


An isoquinoline alkaloid having a tetrahydroisoquinoline core with 3,4-dihydroxybenzyl, methoxy and hydroxy groups at the 1-, 6- and 7-positions respectively; major species at pH 7.3.

   

Neoastilbin

(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-chromanone

C21H22O11 (450.1162)


Neoastilbin is a flavanone glycoside that is (-)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. It is an alpha-L-rhamnoside, a member of 3-hydroxyflavanones, a tetrahydroxyflavanone, a monosaccharide derivative, a flavanone glycoside and a member of 4-hydroxyflavanones. It is functionally related to a (-)-taxifolin. It is an enantiomer of an astilbin. Neoastilbin is a natural product found in Neolitsea sericea, Dimorphandra mollis, and other organisms with data available. A flavanone glycoside that is (-)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. Neosmitilbin is?isolated from?Garcinia?mangostana. Neosmitilbin is?isolated from?Garcinia?mangostana.

   

Garbanzol

(2R,3R) -2,3-Dihydro-3,7-dihydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C15H12O5 (272.0685)


(2r,3r)-3,4,7-trihydroxyflavanone is a member of the class of compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively (2r,3r)-3,4,7-trihydroxyflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-3,4,7-trihydroxyflavanone can be found in chickpea, common bean, and lima bean, which makes (2r,3r)-3,4,7-trihydroxyflavanone a potential biomarker for the consumption of these food products.

   

multiflorin B

2- (4-Hydroxyphenyl) -3- (4-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyloxy) -5,7-dihydroxy-4H-1-benzopyran-4-one

C27H30O15 (594.1585)


A glycosyloxyflavone that is kaempferol substituted by a 6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl residue at position 3 via a glycosidic linkage.

   

DL-Cycloserine

4-Aminoisoxazolidin-3-one

C3H6N2O2 (102.0429)


   

4-Maleylacetoacetic acid

4-fumarylacetoacetate(2-)

C8H8O6 (200.0321)


   

Tetracosanoyl-CoA

{[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetracosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C45H82N7O17P3S (1117.4701)


Tetracosanoyl-CoA is an intermediate in the biosynthesis of unsaturated fatty acids. Tetracosanoyl-CoA is converted from Palmitoyl-CoA in multiple steps. It is then converted to lignoceric acid via a thiol-ester hydrolase (E 3.1.2.-). [HMDB] Tetracosanoyl-CoA is an intermediate in the biosynthesis of unsaturated fatty acids. Tetracosanoyl-CoA is converted from Palmitoyl-CoA in multiple steps. It is then converted to lignoceric acid via a thiol-ester hydrolase (E 3.1.2.-).

   

Isogentisin

1,3-Dihydroxy-7-methoxyxanthone

C14H10O5 (258.0528)


A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3 and a methoxy group at position 7.

   

Bilobol

5-[(8Z)-Pentadec-8-en-1-yl]benzene-1,3-diol

C21H34O2 (318.2559)


   

(±)-Citronellyl acetate

3,7-Dimethyl-6-octen-1-yl acetate;Citronellyl acetate

C12H22O2 (198.162)


Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. It has a role as a plant metabolite. It is an acetate ester and a monoterpenoid. It is functionally related to a citronellol. Citronellyl acetate is a natural product found in Mikania cordifolia, Cinnamomum sieboldii, and other organisms with data available. Citronellyl acetate is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Java citronella oil (part of). (±)-Citronellyl acetate, also known as b-citronellol acetic acid or cephrol acetate, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. (±)-Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. (±)-Citronellyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring ingredient. Constituent of citronella oil, orange juice, lemon juice and peel, grapefruit peel, swangi (Citrus hystrix), ginger, tarragon, myrtle leaf, West Indian lemongrass oil and beer. (±)-Citronellyl acetate is found in many foods, some of which are herbs and spices, carrot, wild carrot, and blackcurrant. A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].

   

6-acetylmorphine

6-O-Monoacetylmorphine

C19H21NO4 (327.1471)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids CONFIDENCE standard compound; INTERNAL_ID 1574

   

Benzoylecgonine

(3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

C16H19NO4 (289.1314)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 2823

   

fluvastatin

(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

C24H26FNO4 (411.1846)


C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3136 Fluvastatin (XU 62-320 free acid) is a first fully synthetic, competitive HMG-CoA reductase inhibitor with an IC50 of 8 nM. Fluvastatin protects vascular smooth muscle cells against oxidative stress through the Nrf2-dependent antioxidant pathway[1][2][3].

   

Epicholestanol

5alpha-cholestan-3alpha-ol

C27H48O (388.3705)


A 5alpha-chloestane compound having a 3alpha-hydroxy substituent. Same as: D01527 Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.

   

N-Acetyl-DL-aspartic acid

N-Acetyl-DL-aspartic acid

C6H9NO5 (175.0481)


   

N-Methyltryptamine

Nω-methyltryptamine

C11H14N2 (174.1157)


   

2-Phenylglycine

(±)-α-Aminophenylacetic acid

C8H9NO2 (151.0633)


   

1,7-Dimethyluric acid

1,7-Dimethyluric acid

C7H8N4O3 (196.0596)


An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-1 and N-7. It is a metabolite of caffeine and is often found in human urine samples.

   

Altanserin

Altanserin

C22H22FN3O2S (411.1417)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Altanserin can synthesize Fluorine-18 Altanserin. Fluorine-18 Altanserin binds to the brain 5HT2 receptors[1].

   

E-4031

N-[4-[1-[2-(6-Methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide

C21H27N3O3S (401.1773)


D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

N-Methylanthranilic acid

N-Methylanthranilic acid

C8H9NO2 (151.0633)


An aromatic amino acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is substituted by a methyl group. 2-(Methylamino)benzoic acid is the main metabolite of methyl-N-methylanthranilates (MMA) (HY-76705) and is the compound in which the ester group is converted. MMA can be isolated from citrus fruits and has potential analgesic activity. 2-(Methylamino)benzoic acid was used to detect the metabolic levels of MMA in rat liver[1].

   

12-HETE-[d8]

12-HETE-[d8]

C20H32O3 (320.2351)


PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ]; CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0088.mzML CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0088.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0088.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0088.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]

   

gamma-Carotene

beta,psi-Carotene

C40H56 (536.4382)


A cyclic carotene obtained by the cyclisation of lycopene. Window width to select the precursor ion was 3 Da.; CONE_VOLTAGE is 10 V.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.

   

Resacetophenone

2,4-DIHYDROXYACETOPHENONE

C8H8O3 (152.0473)


2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite.

   

2-Methylpropanal oxime

Propanal, 2-methyl-,oxime

C4H9NO (87.0684)


   

2-Aminobenzenesulfonic acid

2-Aminobenzenesulfonic acid

C6H7NO3S (173.0147)


2-Aminobenzenesulfonic acid is an endogenous metabolite.

   

7Z-octadecenoic acid

7Z-octadecenoic acid

C18H34O2 (282.2559)


   

DIMBOA-Glc

4-hydroxy-7-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C15H19NO10 (373.1009)


   

Citronellyl acetate

(3R)-3,7-dimethyloct-6-en-1-yl acetate

C12H22O2 (198.162)


Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].

   

16-kaurene

5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane

C20H32 (272.2504)


   

FA 5:1;O2

(4S)-4-hydroxy-2-ketovaleric acid;(4S)-4-hydroxy-2-oxovaleric acid;(S)-4-hydroxy-2-ketopentanoic acid

C5H8O4 (132.0423)


D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004399 - Dynorphins 2-Methylsuccinic acid is a normal metabolite in human fluids and the main biochemical measurable features in ethylmalonic encephalopathy. Ethylmalonic acid is non-carcinogenic potentially toxic and associated with anorexia nervosa and malonyl-CoA decarboxylase deficiency.

   

7-KAP

7-Keto-8-aminopelargonic acid

C9H17NO3 (187.1208)


   

Vernolic acid

(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid

C18H32O3 (296.2351)


A monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group.

   

Sulcatol

5-Hepten-2-ol,6-methyl-

C8H16O (128.1201)


Occurs in lemongrass oil. (R)-Sulcatol is found in herbs and spices.

   

CoA 8:1;O

3-phosphoadenosine 5-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(1-hydroxycyclohexyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

C29H48N7O18P3S (907.1989)


   

CoA 4:0;O

(S)-3-hydroxy-2-methylpropanoyl-coenzyme A;(S)-3-hydroxy-2-methylpropionyl-coenzyme A;(S)-3-hydroxyisobutanoyl-CoA;(S)-3-hydroxyisobutanoyl-coenzyme A;(S)-3-hydroxyisobutyryl-coenzyme A

C25H42N7O18P3S (853.152)


   

CoA 18:0;O

3-phosphoadenosine 5-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyoctadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

C39H70N7O18P3S (1049.3711)


A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyoctadecanoic acid.

   

CoA 7:1;O

2-Hydroxycyclohexane-1-carbonyl-CoA;2-Hydroxycyclohexanecarbonyl-CoA;2-Hydroxycyclohexanecarboxyl-CoA;2-hydroxycyclohexane-1-carbonyl-coenzyme A;2-hydroxycyclohexanecarboxyl-coenzyme A

C28H46N7O18P3S (893.1833)


   

pimeloyl-CoA

3-phosphoadenosine 5-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

C28H46N7O19P3S (909.1782)


An omega carboxyacyl-CoA that is the S-pimeloyl derivative of coenzyme A.

   

Nerolidyl diphosphate

Nerolidyl pyrophosphate

C15H28O7P2 (382.131)


   

Neurosporene

Neurosporene

C40H58 (538.4538)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

Lutein 5,6-epoxide

Lutein 5,6-epoxide

C40H56O3 (584.4229)


An epoxycarotenol derivative of lutein.

   

carthamidin

4,5,7,8-TETRAHYDROXYFLAVANONE

C15H12O6 (288.0634)


A tetrahydroxyflavanone that is (S)-naringenin substituted by an additional hydroxy group at position 6.

   

β-Estradiol 17-acetate

beta-Estradiol 17-acetate

C20H26O3 (314.1882)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones β-Estradiol 17-acetate is a metabolite of estradiol. Target: Others β-Estradiol 17-acetate is a metabolite of estradiol.

   
   

4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid

4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid

C12H14O3 (206.0943)


   

Protirelina

Protirelina

C16H22N6O4 (362.1702)


H - Systemic hormonal preparations, excl. sex hormones and insulins > H01 - Pituitary and hypothalamic hormones and analogues > H01A - Anterior pituitary lobe hormones and analogues > H01AB - Thyrotropin

   

DL-Asparagine

DL-Asparagine

C4H8N2O3 (132.0535)


   

6-Fluoro-2,5-dioxo-2,3-dihydrospiro[chromene-4,4-imidazolidine]-2-carboxamide

6-Fluoro-2,5-dioxo-2,3-dihydrospiro[chromene-4,4-imidazolidine]-2-carboxamide

C12H10FN3O4 (279.0655)


   

omega-Carboxy-N-acetyl-LTE4

omega-Carboxy-N-acetyl-LTE4

C25H37NO8S (511.224)


   

mitobronitol

1,6-DIBROMO-1,6-DIDEOXY-D-MANNITOL

C6H12Br2O4 (305.9102)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

Cefaloglycin

Cephaloglycin anhydrous

C18H19N3O6S (405.0995)


A cephalosporin antibiotic containing at the 7beta-position of the cephem skeleton an (R)-amino(phenyl)acetamido group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D01949

   

2-Methyl-5-nitroaniline

2-Methyl-5-nitroaniline

C7H8N2O2 (152.0586)


   

tetrachloroethane

1,1,1,2-TETRACHLOROETHANE

C2H2Cl4 (165.8911)


   

Ketobemidone

1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one

C15H21NO2 (247.1572)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics Same as: D08100

   

Methandriol

Methandriol

C20H32O2 (304.2402)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid

   

Bolasterone

17beta-hydroxy-7alpha,17-dimethylandrost-4-en-3-one

C21H32O2 (316.2402)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid Same as: D03144

   

Epidihydrocholesterin

Epidihydrocholesterin

C27H48O (388.3705)


   

Tridekan

InChI=1\C13H28\c1-3-5-7-9-11-13-12-10-8-6-4-2\h3-13H2,1-2H

C13H28 (184.2191)


Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2]. Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2].

   

CHEBI:18450

(R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE

C8H7NO (133.0528)


   

611-71-2

Benzeneacetic acid, alpha-hydroxy-, (alphaR)-

C8H8O3 (152.0473)


D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. D-(-)-Mandelic acid is a natural compound isolated from bitter almonds.

   

Pentanone

Methyl propyl ketone [UN1249] [Flammable liquid]

C5H10O (86.0732)


   

AI3-05924

4-14-00-01015 (Beilstein Handbook Reference)

C8H9NO2 (151.0633)


2-(Methylamino)benzoic acid is the main metabolite of methyl-N-methylanthranilates (MMA) (HY-76705) and is the compound in which the ester group is converted. MMA can be isolated from citrus fruits and has potential analgesic activity. 2-(Methylamino)benzoic acid was used to detect the metabolic levels of MMA in rat liver[1].

   

multiflorin

3-[[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone

C27H30O15 (594.1585)


   

WLN: RSR

InChI=1\C12H10S\c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12\h1-10

C12H10S (186.0503)


   

AIDS-098141

1,3-dihydroxy-2-(methoxymethyl)anthracene-9,10-dione

C16H12O5 (284.0685)


   

89-84-9

InChI=1\C8H8O3\c1-5(9)7-3-2-6(10)4-8(7)11\h2-4,10-11H,1H

C8H8O3 (152.0473)


2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite.

   

D-DCTA

Butanedioic acid, 2,3-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (2S,3S)-

C22H18O12 (474.0798)


   

c0241

InChI=1\C8H10O\c1-7-3-2-4-8(5-7)6-9\h2-5,9H,6H2,1H

C8H10O (122.0732)


   

CMP-N-glycoloyl-beta-neuraminate(2-)

2-[({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-[(1,2-dihydroxyethylidene)amino]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

C20H31N4O17P (630.1422)


CMP-N-glycoloyl-beta-neuraminate(2-) is also known as CMP-N-Glycoloyl-beta-neuraminic acid. CMP-N-glycoloyl-beta-neuraminate(2-) is considered to be soluble (in water) and acidic

   

Ophiobolin F

Ophiobolin F

C25H42O (358.3235)


   

3-Deoxyestrone

Estra-1,3,5(10)-trien-17-one

C18H22O (254.1671)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

5-Methylhex-4-enoyl-CoA; (Acyl-CoA); [M+H]+

5-Methylhex-4-enoyl-CoA; (Acyl-CoA); [M+H]+

C28H46N7O17P3S (877.1884)


   

(9R,10S)-9,10-epoxy-9,10-dihydrophenanthrene

(9R,10S)-9,10-epoxy-9,10-dihydrophenanthrene

C14H10O (194.0732)


   

Glycoside F

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-

C51H84O23 (1064.5403)


Deltoside is a steroid saponin. Protodeltonin is a natural product found in Balanites roxburghii, Trigonella foenum-graecum, and Balanites aegyptiaca with data available.

   

2-Pentanone

Pentan-2-one

C5H10O (86.0732)


   

hydroflumethiazide

hydroflumethiazide

C8H8F3N3O4S2 (330.9908)


C - Cardiovascular system > C03 - Diuretics > C03A - Low-ceiling diuretics, thiazides > C03AA - Thiazides, plain D045283 - Natriuretic Agents > D004232 - Diuretics > D049993 - Sodium Chloride Symporter Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators

   

ethotoin

ethotoin

C11H12N2O2 (204.0899)


D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators

   
   

Azinphos-ethyl

Azinphos-ethyl

C12H16N3O3PS2 (345.0371)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

   

MALEIC HYDRAZIDE

MALEIC HYDRAZIDE

C4H4N2O2 (112.0273)


D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

2-Butyne-1,4-diol

2-Butyne-1,4-diol

C4H6O2 (86.0368)


   

Phenindamine

Phenindamine

C19H19N (261.1517)


R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Isopropamide

Isopropamide

C23H33N2O+ (353.2593)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent

   

Triamcinolone diacetate

Triamcinolone diacetate

C25H31FO8 (478.2003)


C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D004791 - Enzyme Inhibitors

   

phthalylsulfathiazole

phthalylsulfathiazole

C17H13N3O5S2 (403.0297)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013432 - Sulfathiazoles D000890 - Anti-Infective Agents > D013424 - Sulfanilamides

   

1-NAPHTHALENEACETAMIDE

2-(1-Naphthyl)acetamide

C12H11NO (185.0841)


   
   

11-Aminoundecanoic acid

11-Aminoundecanoic acid

C11H23NO2 (201.1729)


11-Aminoundecanoic acid is an organic compound with the formula H2N(CH2)10CO2H. This white solid is classified as an amine and a fatty acid. 11-Aminoundecanoic acid is a precursor to Nylon-11.[1] As practiced by Arkema, 11-aminoundecanoic acid is prepared industrially from undecylenic acid, which is derived from castor oil.[2] The synthesis proceeds in four separate reactions: 1. Transesterification of castor oil to methyl ricinoleate: Crude castor oil consists of about 80\% triglycerides, from the ricinoleic acid, itself representing about 90\% of the oil.[3] It is quantitatively transesterified with methanol to methyl ricinoleate (the methyl ester of ricinoleic acid) in the presence of the basic sodium methoxide at 80 °C within 1 h reaction time in a stirred reactor. At the end of the reaction, the resulting glycerol separates and the liquid methyl ester is washed with water to remove residual glycerol. 2. Pyrolysis of methylricinoleate to heptanal and methyl undecenoate: Methylricinoleate is evaporated at 250 °C, mixed with hot steam (600 °C) in a 1:1 ratio and decomposed in a cracking furnace at 400 - 575 °C at a retention time of about 10 seconds into its cleavage products heptanal and methyl undecenoate. The cleavage of the aliphatic chain occurs in this variant of the steam cracking selectively between the hydroxymethylene and the allyl-methylene group. Besides heptanal and methyl undecenoate, a mixture of methyl esters of saturated and unsaturated C18-carboxylic acids is obtained. This mixture is known under the trade name Esterol and is used as a lubricant additive. 3. Hydrolysis of methyl undecenoate to 10-undecenoic acid The hydrolysis of the methyl ester with sodium hydroxide proceeds at 25 °C within 30 min with quantitative yield. After acidification with hydrochloric acid, solid 10-undecenoic acid (undecylenic acid) is obtained. 4. Hydrobromination of 10-undecenoic acid to 11-bromoundecanoic acid The undecenoic acid is dissolved in toluene and, in the presence of the radical initiator benzoyl peroxide (BPO), gaseous hydrogen bromide is added, in contrary to the Markovnikov rule ("anti-Markovnikov"). When cooled to 0 °C, the fast and highly exothermic reaction produces 11-bromoundecanoic acid in 95\% yield - the Markovnikov product 10-bromoundecanoic acid is produced in small quantities as a by-product. Toluene and unreacted hydrogen bromide are extracted under reduced pressure and reused. 5. Bromine exchange of 11-bromoundecanoic acid to 11-aminoundecanoic acid 11-Bromodecanoic acid is mixed at 30 °C with a large excess of 40\% aqueous ammonia solution. When the reaction is complete, water is added and the mixture is heated to 100 °C to remove the excess ammonia. The acid can be recrystallized from water. For further purification, the hydrochloride of 11-aminoundecanoic acid, which is available by acidification with hydrochloric acid, can be recrystallized from a methanol/ethyl acetate mixture. Aminoundecanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2432-99-7 (retrieved 2024-07-01) (CAS RN: 2432-99-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

LYSERGAMIDE

LYSERGAMIDE

C16H17N3O (267.1372)


An ergoline alkaloid comprising ergoline lacking hydrogens at positions 9 and 10 and also having a methyl group attached to the piperidine nitrogen.

   

(R)-Mandelonitrile

(R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE

C8H7NO (133.0528)


   

alpha-Fenchol

(-)-alpha-fenchol

C10H18O (154.1358)


A fenchane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 3 and 3 and a hydroxy group at position 2 (the 1S,2S,4R stereoisomer).

   

Molybdic acid

Molybdic(VI) acid

H2MoO4 (163.9007)


   

3-Uridylic acid

3-Uridylic acid

C9H13N2O9P (324.0359)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-acetyllactic acid

2-hydroxy-2-methyl-3-oxobutanoic acid

C5H8O4 (132.0423)


A derivative of butyric acid having methyl, hydroxy and oxo substituents at the 2-, 2- and 3-positions respectively.

   
   

CHLORDECONE ALCOHOL

CHLORDECONE ALCOHOL

C10H2Cl10O (487.6991)


   

Oxalosuccinic acid

1-oxopropane-1,2,3-tricarboxylic acid

C6H6O7 (190.0114)


A tricarboxylic acid consisting of 2-oxoglutaric acid having a further carboxy group at the 3-position. It is a substrate of the citric acid cycle.

   

(+)-aristolochene

(+)-aristolochene

C15H24 (204.1878)


   

D-Arabinono-1,4-lactone

D-Arabinono-1,4-lactone

C5H8O5 (148.0372)


   

5,6-Indolinediol

5,6-Indolinediol

C8H9NO2 (151.0633)


   

3-hydroxy-2-methylpropanoyl-CoA

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)


   

N-Acetylneuraminic acid 9-phosphate

N-Acetylneuraminic acid 9-phosphate

C11H20NO12P (389.0723)


   

3-oxopropanoic acid

3-oxopropanoic acid

C3H4O3 (88.016)


   

2-Aminoacetaldehyde

2-Aminoacetaldehyde

C2H5NO (59.0371)


An amino aldehyde that is acetaldehyde in which one of the hydrogens of the methyl group has been replaced by an amino group.

   

Cerebronic acid

2-Hydroxytetracosanoic acid

C24H48O3 (384.3603)


A very long-chain hydroxy fatty acid composed of lignoceric acid having a 2-hydroxy substituent.

   

Beta-D-Fructose 2-phosphate

Beta-D-Fructose 2-phosphate

C6H13O9P (260.0297)


   

(-)-alpha-Hydrastine

(-)-alpha-Hydrastine

C21H21NO6 (383.1369)


   

3-Oxooctanoyl-CoA

3-Oxooctanoyl-CoA

C29H48N7O18P3S (907.1989)


An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxooctanoic acid.

   

(S)-3-Hydroxydecanoyl-CoA

(S)-3-Hydroxydecanoyl-CoA

C31H54N7O18P3S (937.2459)


A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxydecanoic acid.

   

15-dehydro-prostaglandin D2

15-dehydro-prostaglandin D2

C20H30O5 (350.2093)


The 15-dehydro derivative of prostaglandin D2.

   

L-Homomethionine

L-Homomethionine

C6H13NO2S (163.0667)


   

DIMBOA glucoside

DIMBOA glucoside

C15H19NO10 (373.1009)


A cyclic hydroxamic acid that is DIMBOA attached to a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage.

   

1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol

1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol

C12H16N4O7 (328.1019)


   
   

Histidylleucine

Histidylleucine

C12H20N4O3 (268.1535)


   

1,3,5-Hexatriyne

1,3,5-Hexatriyne

C6H2 (74.0156)


   

5alpha-dihydrodeoxycorticosterone

5A-PREGNAN-21-OL-3-20-DIONE CRYSTALLINE

C21H32O3 (332.2351)


   

cis-1,2-Dihydrocatechol

cis-Cyclohexa-3,5-diene-1,2-diol

C6H8O2 (112.0524)


   

Salicin 6-phosphate

Salicin 6-phosphate

C13H19O10P (366.0716)


   

isoleukotoxin

(12R,13S)-(9Z)-12,13-Epoxyoctadecenoic acid

C18H32O3 (296.2351)


An optically active form of vernolic acid having (12R,13S)-configuration. D004791 - Enzyme Inhibitors

   

phosphonoacetaldehyde

phosphonoacetaldehyde

C2H5O4P (123.9925)


A phosphonic acid consisting of acetaldehyde with the phospho group at the 2-position.

   

Acetylpyruvic acid

Acetylpyruvic acid

C5H6O4 (130.0266)


A dioxo monocarboxylic acid that is pentanoic acid carrying two oxo groups at positions 2 and 4.

   
   

Dehydrosoyasaponin I

Dehydrosoyasaponin I

C48H76O18 (940.5031)


   

3-Chloro-D-alanine

3-Chloro-D-alanine

C3H6ClNO2 (123.0087)


   

3,4-phenanthrenediol

Phenanthrene-3,4-diol

C14H10O2 (210.0681)


   

Thiourocanic acid

Thiourocanic acid

C6H6N2O2S (170.015)


   

Chloroeremomycin

Chloroorienticin A

C73H88Cl2N10O26 (1590.5248)


A complex glycopeptide antibiotic that is isolated from Amycolatopsis orientalis.

   

(3S)-3,6-Diaminohexanoic acid

(3S)-3,6-Diaminohexanoic acid

C6H14N2O2 (146.1055)


   

but-1-ene-1,2,4-tricarboxylic acid

but-1-ene-1,2,4-tricarboxylic acid

C7H8O6 (188.0321)


   
   

2-Methylpropanal O-methyloxime

2-Methylpropanal O-methyloxime

C5H11NO (101.0841)


   

Phenolic steroid

Phenolic steroid

C18H24O (256.1827)


   

CMP-N-Glycoloyl-beta-neuraminic acid

CMP-N-Glycoloyl-beta-neuraminic acid

C20H31N4O17P (630.1422)


A CMP-N-acyl-beta-neuraminic acid in which the N-acyl group is glycoloyl.

   

3-Methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone

3-Methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone

C48H72O3 (696.5481)


   
   

Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-

Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-

C25H41NO7 (467.2883)


   

3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide

3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide

C12H21NO4 (243.1471)


   

2-Hydroxy-1,1-biphenyl-2-sulfinic acid

2-Hydroxy-1,1-biphenyl-2-sulfinic acid

C12H10O3S (234.0351)


   

ascorbate 2-sulfate

ascorbate 2-sulfate

C6H8O9S (255.9889)


D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites

   

Clavaminic acid

Clavaminic acid

C8H10N2O4 (198.0641)


   

3,7-Dimethylocta-1,6-dien-3-yl phosphono hydrogen phosphate

3,7-Dimethylocta-1,6-dien-3-yl phosphono hydrogen phosphate

C10H20O7P2 (314.0684)


   

IACI

N-(Hydrocinchonidin-8-yl)-4-azido-2-hydroxybenzamide

C26H27IN6O3 (598.1189)


   

1-Amino-1-deoxy-scyllo-inositol

1-Amino-1-deoxy-scyllo-inositol

C6H13NO5 (179.0794)


   

N(6)-[(indol-3-yl)acetyl]-L-lysine

N(6)-[(indol-3-yl)acetyl]-L-lysine

C16H21N3O3 (303.1583)


D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids

   

[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol

[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol

C86H172O6 (1301.3153)


   

(2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid

(2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid

C12H11NO4 (233.0688)


   

4-HEPTYLPHENOL

4-N-HEPTYLPHENOL

C13H20O (192.1514)


   

Emopamil

Emopamil

C23H30N2 (334.2409)


C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

2,4-xylenol

1-Hydroxy-2,4-dimethylbenzene

C8H10O (122.0732)


A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4.

   

Dioxindole

1,3-Dihydro-3-hydroxy-2H-indol-2-one

C8H7NO2 (149.0477)


D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors

   

Aminopropylcadaverine

Aminopropylcadaverine

C8H21N3 (159.1735)


A polyazaalkane that is the 1,4,11-triaza derivative of undecane.

   

CoA 22:0

Behenyl-coenzyme A;Docosanoyl-CoA;behenoyl-coenzyme A;behenyl CoA;docosanoyl-coenzyme A

C43H78N7O17P3S (1089.4388)


A very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of docosanoic (behenic) acid.

   

CoA 24:0

C24:0-CoA;C24:0-coenzyme A;Lignoceroyl-coa;Lignoceroyl-coenzyme A;Tetracosanoyl-CoA;tetracosanoyl-coenzyme A

C45H82N7O17P3S (1117.4701)


A very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of tetracosanoic (lignoceric) acid. It is an intermediate in the biosynthesis of unsaturated fatty acids.

   

2-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one

2-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one

C11H14O4 (210.0892)


   

(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid

(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid

C18H32O3 (296.2351)


   

1,2-Epoxy-1,2-dihydro-naphthalene

1,2-Epoxy-1,2-dihydro-naphthalene

C10H8O (144.0575)


   
   

FLUAZIFOP-BUTYL

Propanoic acid,2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester

C19H20F3NO4 (383.1344)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

CYCLOHEXYL ACETATE

CYCLOHEXYL ACETATE

C8H14O2 (142.0994)


   

irone

alpha-Irone

C14H22O (206.1671)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

Dilacor XR

Dilacor XR

C22H26N2O4S (414.1613)


D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Cyclopropanecarboxylate

CYCLOPROPANECARBOXYLIC ACID

C4H6O2 (86.0368)


   

Diphenylsulfid

Diphenyl sulfide

C12H10S (186.0503)


   

Oranabol

4,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one

C20H30O3 (318.2195)


C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid

   

PCB 116

2,3,4,5,6-Pentachlorobiphenyl

C12H5Cl5 (323.8834)


   

PCB 155

2,2,4,4,6,6-HEXACHLOROBIPHENYL

C12H4Cl6 (357.8444)


D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

   

Dechloroethylcyclophosphamide

Dechloroethylcyclophosphamide

C5H12ClN2O2P (198.0325)


D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

   

11H-14,15-EETA

(5Z,8Z,12E)-14,15-Epoxy-11-hydroxyeicosa-5,8,12-trienoic acid

C20H32O4 (336.23)


   

Kaur-16-ene

Kaur-16-ene

C20H32 (272.2504)


   

dopamine 4-O-sulfate

dopamine 4-O-sulfate

C8H11NO5S (233.0358)


An aryl sulfate that is dopamine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.

   

5-Hydroxykynurenine

5-Hydroxykynurenine

C10H12N2O4 (224.0797)


A hydroxykynurenine that is kynurenine bearing a hydroxy group at the position 5.

   

Desdimethyltamoxifen

N,N-Didesmethyltamoxifen

C24H25NO (343.1936)


   

Benzo[a]pyrene-7,8-oxide

Benzo[a]pyrene-7,8-epoxide

C20H12O (268.0888)


   

6alpha-Hydroxymaackiain

6alpha-Hydroxymaackiain

C16H12O6 (300.0634)


   

Tifluadom

Tifluadom

C22H20FN3OS (393.1311)


C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Same as: D02694

   
   

2-hydroxy-3-oxobutyl phosphate

1-deoxy-L-glycero-tetrulose 4-phosphate

C4H9O6P (184.0137)


   

Talactoferrin Alfa

Talactoferrin Alfa

C19H26Cl2N2O (368.1422)


D000970 - Antineoplastic Agents

   

3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde

3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde

C23H32O6 (404.2199)


   

3-Hydroxy-3-methyl-5-phosphonooxypentanoic acid

3-Hydroxy-3-methyl-5-phosphonooxypentanoic acid

C6H13O7P (228.0399)


   

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene

C20H24N4O9S (496.1264)


   

1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene

1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene

C20H24N4O9S (496.1264)


   

1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene

1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene

C20H24N4O9S (496.1264)


   

1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene

1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene

C20H24N4O9S (496.1264)


   

3-phenylcyclohexa-3,5-diene-1,2-diol

3-phenylcyclohexa-3,5-diene-1,2-diol

C12H12O2 (188.0837)


   

3,3-Dibromobisphenol A

3,3-Dibromobisphenol A

C15H14Br2O2 (383.936)