Subcellular Location: extracellular exosome

Found 500 associated metabolites.

2181 associated genes. A1BG, A2M, A2ML1, AARS1, AASDHPPT, ABCB1, ABCB11, ABCB4, ABCB6, ABCC1, ABCC11, ABHD14B, ABHD8, ABI1, ACAT1, ACAT2, ACE, ACE2, ACLY, ACO1, ACOT11, ACOT7, ACP1, ACP2, ACP3, ACSL4, ACSM1, ACTA1, ACTA2, ACTB, ACTBL2, ACTC1, ACTG1, ACTG2, ACTN1, ACTN2, ACTN3, ACTN4, ACTR1A, ACTR1B, ACTR2, ACTR3, ACTR3B, ACTR3C, ACY1, ACY3, ADAM10, ADAM15, ADAM9, ADAMTS3, ADCY1, ADGRE5, ADGRG1, ADGRG2, ADGRV1, ADH5, ADH6, ADIRF, ADSS2, AEBP1, AFM, AGAP2, AGO2, AGRN, AGT, AHCTF1, AHCY, AHCYL1, AHNAK, AHSA1, AHSG, AIF1L, AK1, AK2, AKR1A1, AKR1B1, AKR1C1, AKR1C3, AKR1C4, AKR7A2, AKR7A3, AKR7L, ALAD, ALB, ALCAM, ALDH1A1, ALDH1A3, ALDH1L1, ALDH1L2, ALDH2, ALDH3B1, ALDH7A1, ALDH8A1, ALDH9A1, ALDOA, ALDOB, ALDOC, ALG2, ALK, ALOX12, ALOX15B, ALPL, ALYREF, AMBP, AMN, AMY1A, AMY1B, AMY1C, AMY2A, AMY2B, ANGPT1, ANGPTL1, ANGPTL2, ANGPTL6, ANKFY1, ANO1, ANO6, ANP32B, ANPEP, ANXA1, ANXA11, ANXA13, ANXA2, ANXA2P2, ANXA3, ANXA4, ANXA5, ANXA6, ANXA7, AOC1, AOX1, AP1M1, AP2M1, AP4M1, APAF1, APCS, APEH, APLP2, APOA1, APOA2, APOA4, APOB, APOC3, APOD, APOE, APOH, APP, APPL1, APPL2, APRT, AQP1, AQP2, AQP5, ARF1, ARF3, ARF4, ARF5, ARF6, ARHGAP1, ARHGAP23, ARHGDIA, ARHGDIB, ARHGEF12, ARHGEF18, ARL15, ARL3, ARL6, ARL8A, ARL8B, ARMC3, ARMC9, ARPC1A, ARPC1B, ARPC2, ARPC3, ARPC4, ARPC5, ARPC5L, ARRDC1, ARSA, ARSB, ARSF, ARSL, ART3, ASAH1, ASAH2, ASL, ASS1, ATAD2, ATIC, ATP1A1, ATP1B1, ATP1B3, ATP2B1, ATP2B2, ATP5F1A, ATP5F1B, ATP6AP1, ATP6AP2, ATP6V0A1, ATP6V0A4, ATP6V0C, ATP6V0D1, ATP6V0D2, ATP6V1A, ATP6V1B1, ATP6V1B2, ATP6V1C1, ATP6V1C2, ATP6V1D, ATP6V1E1, ATP6V1F, ATP6V1G1, ATP6V1H, ATP8A1, ATRN, AUP1, AXL, AZGP1, AZU1, B2M, B3GAT3, B3GNT6, B3GNT8, B4GALT1, B4GALT3, B4GAT1, BAG6, BAIAP2, BAIAP2L1, BASP1, BAX, BBOX1, BCAM, BCAS1, BCR, BDH2, BEND7, BGN, BHMT, BHMT2, BLMH, BLVRA, BLVRB, BMP3, BPGM, BPI, BPIFA2, BPIFB1, BPIFB2, BPTF, BRI3, BRK1, BROX, BSG, BST1, BST2, BTD, BTG2, C11orf52, C11orf54, C16orf89, C19orf18, C1GALT1C1, C1orf116, C1QTNF3, C1R, C1RL, C2, C3, C4A, C4B, C4B_2, C5, C5orf46, C6, C6orf58, C7, C8A, C8B, C8G, C9, CA1, CA2, CA4, CA6, CAB39, CACNA2D1, CACYBP, CAD, CALB1, CALML3, CALR, CAMK4, CAMP, CAND1, CANT1, CANX, CAP1, CAPG, CAPN1, CAPN2, CAPN5, CAPN7, CAPNS1, CAPZA1, CAPZA2, CAPZB, CARD11, CARMIL1, CAT, CBR1, CC2D1A, CCDC180, CCL28, CCT2, CCT3, CCT4, CCT5, CCT6A, CCT7, CCT8, CD101, CD14, CD177, CD19, CD22, CD248, CD274, CD2AP, CD300A, CD37, CD38, CD40, CD44, CD46, CD47, CD48, CD53, CD55, CD58, CD59, CD63, CD70, CD74, CD79B, CD81, CD82, CD86, CD9, CDC37, CDC42, CDC42BPA, CDC42BPB, CDH1, CDH11, CDH13, CDH15, CDH16, CDH3, CDHR2, CDHR5, CDK1, CDK5RAP2, CDKL1, CEACAM1, CEACAM5, CEACAM8, CEL, CEMIP2, CEP250, CEP68, CES2, CES3, CETP, CFAP20, CFAP70, CFB, CFD, CFH, CFHR3, CFI, CFL1, CFL2, CHCHD3, CHI3L1, CHID1, CHL1, CHMP1A, CHMP1B, CHMP2A, CHMP2B, CHMP3, CHMP4B, CHMP5, CHMP6, CHP1, CHST14, CIB1, CILP, CILP2, CKAP4, CKB, CLEC3B, CLIC1, CLIC3, CLIC4, CLIC5, CLIC6, CLN5, CLRN3, CLTC, CLTCL1, CLTRN, CLU, CMBL, CMPK1, CNDP2, CNKSR2, CNP, CNTLN, CNTN1, COASY, COBLL1, COL12A1, COL15A1, COL18A1, COL1A2, COL4A2, COL6A1, COL6A2, COL6A3, COMP, COMT, COPA, COPS8, CORO1A, CORO1B, COTL1, CP, CPB2, CPD, CPE, CPM, CPN1, CPN2, CPNE1, CPNE2, CPNE3, CPNE4, CPNE5, CPNE6, CPNE7, CPNE8, CPNE9, CPQ, CPVL, CR1, CR2, CRABP2, CRB2, CRB3, CREB5, CREG1, CRISPLD1, CRISPLD2, CRK, CRNN, CROCC, CRTAC1, CRTC2, CRYAB, CRYL1, CRYM, CRYZ, CS, CSE1L, CSK, CSNK2B, CSPG4, CSRP1, CST3, CST4, CST5, CST6, CSTB, CTDSP1, CTDSPL, CTH, CTNNB1, CTNND1, CTNS, CTSA, CTSB, CTSC, CTSD, CTSF, CTSG, CTSH, CTSL, CTSZ, CUBN, CUL3, CUL4B, CUTA, CUX2, CXCL12, CXCR4, CYB5R1, CYBRD1, CYFIP1, CYFIP2, CYP2J2, CYRIB, CYSRT1, CYSTM1, DAAM2, DAG1, DAO, DARS1, DBI, DBNL, DCD, DCTN2, DCXR, DDAH1, DDAH2, DDB1, DDC, DDR1, DDT, DDTL, DDX11, DDX19B, DDX23, DDX3X, DDX5, DEFA1, DEFA1B, DEFA3, DEFB1, DERPC, DES, DHX36, DICER1, DIP2B, DLG1, DMBT1, DMC1, DNAJA1, DNAJA2, DNAJB1, DNAJB9, DNAJC13, DNAJC3, DNAJC7, DNASE1, DNASE2, DNHD1, DNM1, DNM2, DNM3, DNPH1, DOCK10, DOCK2, DOP1B, DPEP1, DPP3, DPP4, DPP7, DPYS, DPYSL2, DRC1, DRC3, DRG1, DSC1, DSC2, DSC3, DSG2, DSG3, DSP, DSTN, DUOX2, DUSP26, DUT, DYNC1H1, DYNC2H1, DYSF, ECE1, ECH1, ECM1, EDIL3, EEA1, EEF1A1, EEF1A1P5, EEF1G, EEF2, EFEMP1, EFEMP2, EFNB1, EGF, EHD1, EHD2, EHD4, EIF2A, EIF2S1, EIF2S3, EIF3A, EIF3B, EIF3E, EIF3H, EIF3I, EIF4A1, EIF4E, EIF6, ELANE, ELAPOR1, EMILIN1, EMILIN3, EML5, ENDOD1, ENO1, ENO2, ENO3, ENPEP, ENPP3, ENPP4, ENPP6, ENTPD1, ENTPD2, EPB41L2, EPCAM, EPCIP, EPHB1, EPHB4, EPHX2, EPN3, EPO, EPS8, EPS8L1, EPS8L2, EPX, ERAP1, ERMN, ERP44, ESD, EVPL, EXOSC9, EXT2, EYS, EZR, F11, F11R, F12, F2, F9, FABP1, FABP3, FABP4, FABP5, FAH, FAM151A, FAM168B, FAM209A, FAM20A, FAM20C, FAM234A, FAM3B, FAM3C, FAN1, FAS, FASLG, FASN, FAT1, FAT2, FAT4, FBL, FBLN1, FBLN5, FBP1, FBP2, FCER2, FCGBP, FCGR3A, FCGR3B, FCN2, FERMT3, FETUB, FGA, FGB, FGG, FGL2, FGR, FH, FIGNL1, FKBP4, FKBP5, FLNA, FLNB, FLOT1, FLOT2, FLRT2, FMNL1, FN1, FOLH1, FOLH1B, FOLR1, FREM2, FRK, FSCN1, FSTL1, FTCD, FTH1, FTL, FUCA1, FUCA2, FURIN, FUT2, FUT3, FUT6, FUT8, FUZ, FXYD2, FXYD3, G6PD, GAA, GABRB2, GAL3ST4, GALK1, GALM, GALNS, GALNT3, GALNT4, GALNT7, GANAB, GAPDH, GARS1, GART, GAS6, GATD1, GATM, GBA1, GBE1, GBP6, GC, GCA, GCNT3, GDF15, GDF2, GDI2, GDPD3, GEMIN4, GET3, GFPT1, GFRA1, GFUS, GGACT, GGCT, GGH, GGT1, GGT2P, GGT3P, GGT6, GGTLC2, GGTLC3, GHITM, GIPC1, GIPC2, GK, GK2, GLA, GLB1, GLG1, GLIPR2, GLO1, GLOD4, GLRX, GLUL, GM2A, GMDS, GMPPA, GNA11, GNA13, GNA14, GNAI1, GNAI2, GNAI3, GNAL, GNAQ, GNAS, GNB1, GNB2, GNB3, GNB4, GNG12, GNG2, GNG4, GNG5, GNG7, GNPDA1, GNPTG, GNS, GOLGA4, GOLGA7, GOT1, GOT2, GP1BA, GP2, GP5, GP6, GPA33, GPC1, GPC4, GPD1, GPD1L, GPI, GPLD1, GPM6A, GPR155, GPRASP3, GPRC5A, GPRC5B, GPRC5C, GPRC5D, GPT, GPX3, GPX4, GRB2, GREB1, GRHPR, GRID1, GRN, GSN, GSR, GSS, GSTA1, GSTA2, GSTA3, GSTA5, GSTCD, GSTK1, GSTM2, GSTM3, GSTO1, GSTO2, GSTP1, GSTT1, GSTT2, GSTT2B, GUCA2B, GUSB, H1-8, H2AC1, H2AC11, H2AC12, H2AC13, H2AC14, H2AC15, H2AC16, H2AC17, H2AC18, H2AC19, H2AC20, H2AC21, H2AC25, H2AC4, H2AC6, H2AC7, H2AC8, H2AJ, H2AX, H2AZ1, H2AZ2, H2BC10, H2BC13, H2BC14, H2BC15, H2BC18, H2BC21, H2BC4, H2BC5, H2BC6, H2BC7, H2BC8, H2BC9, H3-3A, H3-3B, H3-4, H3C1, H3C10, H3C11, H3C12, H3C13, H3C14, H3C15, H3C2, H3C3, H3C4, H3C6, H3C7, H3C8, H4C1, H4C11, H4C12, H4C13, H4C14, H4C15, H4C16, H4C2, H4C3, H4C4, H4C5, H4C6, H4C8, H4C9, HBA2, HBB, HBS1L, HBZ, HDHD2, HEBP1, HEBP2, HEXA, HEXB, HGD, HGS, HID1, HINT1, HIRA, HLA-A, HLA-B, HLA-C, HLA-DRA, HLA-DRB1, HLA-DRB5, HLA-E, HMCN1, HNMT, HNRNPA1, HNRNPA2B1, HNRNPC, HNRNPK, HNRNPL, HNRNPM, HP, HPD, HPGD, HPN, HPR, HPRT1, HPX, HRG, HRNR, HSP90AA1, HSP90AA2P, HSP90AB1, HSP90AB2P, HSP90AB3P, HSP90B1, HSPA12A, HSPA13, HSPA1A, HSPA1B, HSPA2, HSPA4, HSPA5, HSPA6, HSPA7, HSPA8, HSPA9, HSPB1, HSPD1, HSPE1, HSPG2, HSPH1, HTRA1, HUWE1, HYAL1, HYOU1, IARS1, ICAM1, ICAM3, ICOSLG, IDE, IDH1, IDH2, IDUA, IGF2R, IGFALS, IGFBP2, IGFBP7, IGHA1, IGHA2, IGHD, IGHEP1, IGHEP2, IGHG1, IGHG2, IGHG3, IGHG4, IGHM, IGHV3-23, IGHV3-7, IGHV3-9, IGKC, IGKV1-17, IGKV1-39, IGKV1-5, IGKV1D-12, IGKV1D-33, IGKV2-30, IGKV2D-28, IGKV2D-40, IGKV3-11, IGKV3-20, IGLC1, IGLC2, IGLC3, IGLL5, IGLV1-51, IGLV2-14, IGLV3-19, IGLV3-21, IGSF8, IL18BP, IL1RN, IL6ST, IMP3, IMPDH2, INSR, IQCB1, IQCG, IQGAP1, IQGAP2, IRF6, ISLR, IST1, ITCH, ITFG1, ITGA1, ITGA2B, ITGA3, ITGA4, ITGAL, ITGAM, ITGAV, ITGB1, ITGB2, ITGB3, ITGB4, ITGB5, ITGB7, ITGB8, ITIH1, ITIH2, ITIH3, ITIH4, ITLN1, ITM2B, ITM2C, ITSN1, ITSN2, IVL, JADE2, JCHAIN, JUP, KALRN, KCNG2, KHK, KIF12, KIF3A, KIF3B, KIFC3, KL, KLK1, KLK11, KLK2, KLK3, KLKB1, KNG1, KPNB1, KPRP, KRT1, KRT10, KRT12, KRT13, KRT14, KRT15, KRT16, KRT18, KRT19, KRT2, KRT24, KRT25, KRT26, KRT27, KRT28, KRT3, KRT31, KRT32, KRT33B, KRT35, KRT36, KRT37, KRT38, KRT5, KRT6A, KRT6B, KRT6C, KRT7, KRT71, KRT72, KRT73, KRT74, KRT75, KRT76, KRT77, KRT78, KRT79, KRT8, KRT84, KRT9, KSR2, LAD1, LAMA3, LAMA4, LAMA5, LAMB1, LAMB2, LAMC1, LAMP1, LAMP2, LAMTOR1, LAMTOR3, LAP3, LAT2, LBP, LCAT, LCK, LCN2, LCP1, LDHA, LDHAL6A, LDHB, LDHC, LGALS1, LGALS3, LGALS3BP, LGALS7, LGALS7B, LGMN, LIFR, LILRB4, LIN7A, LMAN1, LMAN2, LOXL4, LPO, LRG1, LRP2, LRRC15, LRRC26, LRRC57, LRRK2, LRRN4, LSP1, LSR, LTA4H, LTBP2, LTBP3, LTF, LUM, LUZP1, LY75, LYN, LYPLA1, LYPLA2, LYVE1, LYZ, MACROH2A1, MACROH2A2, MAL2, MAN1A1, MAN1A2, MAN1C1, MAN2A1, MAN2B1, MAN2B2, MAPKAPK2, MARCKS, MARCKSL1, MARK3, MARS1, MASP2, MAT2B, MB, MBD5, MBLAC2, MBP, MCPH1, MDH1, MDH2, MEGF8, MELTF, MEP1A, MEST, METRNL, MFGE8, MGA, MGAM, MGAT1, MGAT4A, MGAT5, MGP, MGRN1, MID2, MIF, MINK1, MINPP1, MITD1, MLLT3, MLPH, MME, MMP24, MMP7, MMP9, MMRN2, MNDA, MOB1A, MOB1B, MOGS, MON2, MPI, MPO, MPST, MS4A1, MSN, MSRA, MTAP, MTCL2, MTHFD1, MTMR11, MTMR2, MTNAP1, MUC1, MUC16, MUC4, MUC5AC, MUC5B, MUC7, MVB12A, MVB12B, MVP, MXRA5, MXRA8, MYH10, MYH11, MYH13, MYH14, MYH3, MYH9, MYL12A, MYL12B, MYL6, MYL6B, MYO15A, MYO1B, MYO1C, MYO1D, MYO1E, MYO1G, MYO5A, MYO5B, MYO5C, MYO6, MYOC, MYOF, N4BP2L2, NAA16, NAA50, NAAA, NACA, NAGA, NAGK, NAGLU, NAMPT, NANS, NAPA, NAPB, NAPEPLD, NAPG, NAPRT, NAPSA, NARS1, NAT2, NAXE, NCCRP1, NCKAP1, NCKAP1L, NCL, NCOA3, NCSTN, NDRG1, NDRG2, NDRG3, NEB, NEBL, NECTIN2, NECTIN4, NEDD4, NEDD4L, NEDD8, NEU1, NHERF1, NHERF2, NIBAN1, NIBAN2, NID1, NID2, NIPBL, NIT2, NKX6-1, NME1, NME2, NME2P1, NOX3, NPC1, NPC2, NPEPPS, NPHS1, NPHS2, NPNT, NPR3, NQO2, NRAS, NRF1, NSUN2, NT5C, NT5E, NUCB1, NUCB2, NUDT10, NUDT5, NUDT9, NUMA1, NUTF2, NXPE4, OGN, OLA1, OLFM4, OMD, OR11L1, ORM1, ORM2, OSBPL1A, OSCAR, OSR1, OTUB1, OXSR1, P2RX4, P3H1, P4HB, PA2G4, PABPC1, PABPC1L, PABPC1L2A, PABPC1L2B, PABPC3, PACSIN2, PACSIN3, PADI2, PAFAH1B1, PAFAH1B2, PAICS, PALS1, PALS2, PAM, PAPPA2, PARD6B, PARK7, PARP4, PATJ, PBLD, PCBD1, PCBP1, PCBP2, PCBP3, PCDH12, PCDHGB5, PCK1, PCLO, PCMT1, PCNA, PCOLCE, PCYOX1, PDCD10, PDCD2, PDCD5, PDCD6, PDCD6IP, PDE8A, PDF, PDGFC, PDIA3, PDIA6, PDXK, PDZK1, PDZK1IP1, PEBP1, PEBP4, PECAM1, PEF1, PEPD, PEX1, PFAS, PFKL, PFKP, PFN1, PFN2, PGA3, PGA4, PGA5, PGAM1, PGAM2, PGAM4, PGAP6, PGD, PGK1, PGK2, PGLS, PGLYRP1, PGLYRP2, PGM1, PGM2, PHB1, PHGDH, PHPT1, PI15, PI4KA, PIGR, PIK3C2A, PILRA, PIP, PIP4K2C, PITPNA, PKD1, PKD1L3, PKD2, PKHD1, PKLR, PKM, PLA2G15, PLA2G2A, PLAA, PLAT, PLAU, PLBD2, PLCB1, PLCD1, PLCG2, PLD3, PLEC, PLEKHA1, PLEKHA7, PLG, PLOD1, PLOD2, PLOD3, PLPP1, PLS1, PLSCR1, PLVAP, PLXNA1, PLXNB2, PM20D1, PMEL, PMP2, PMVK, PNP, PODXL, PON1, PON3, POTEE, POTEF, POTEI, POTEJ, POTEKP, PPA1, PPFIA2, PPIA, PPIAL4A, PPIB, PPIC, PPL, PPM1L, PPP1CA, PPP1CB, PPP1R7, PPP2CA, PPP2R1A, PPP2R1B, PPT1, PPT2, PRCP, PRDX1, PRDX2, PRDX4, PRDX5, PRDX6, PRELP, PRG2, PRKACA, PRKACB, PRKAR2A, PRKAR2B, PRKCA, PRKCB, PRKCD, PRKCH, PRKCI, PRKCZ, PRKRIP1, PRNP, PROCR, PROM1, PROM2, PROS1, PROZ, PRPH, PRR27, PRR4, PRRC2A, PRSS23, PRSS8, PRTN3, PRXL2B, PSAP, PSAT1, PSCA, PSMA1, PSMA2, PSMA3, PSMA4, PSMA5, PSMA6, PSMA7, PSMA8, PSMB1, PSMB2, PSMB3, PSMB4, PSMB5, PSMB6, PSMB8, PSMB9, PSMC5, PSMC6, PSMD12, PSMD2, PSMD3, PSMD7, PSME1, PSME2, PTBP1, PTER, PTGDS, PTGR1, PTGS1, PTPA, PTPN13, PTPN23, PTPN6, PTPRA, PTPRC, PTPRD, PTPRF, PTPRG, PTPRJ, PTPRO, PTPRS, PTTG1IP, PWWP3B, PXDN, PYGB, PYGL, PYGM, PZP, QDPR, QPCT, QPRT, QSOX1, RAB10, RAB11A, RAB11B, RAB13, RAB14, RAB15, RAB17, RAB19, RAB1A, RAB1B, RAB1C, RAB21, RAB22A, RAB25, RAB27A, RAB27B, RAB29, RAB2A, RAB2B, RAB34, RAB35, RAB3B, RAB3D, RAB3GAP1, RAB41, RAB43, RAB4A, RAB5A, RAB5B, RAB5C, RAB6A, RAB7A, RAB8A, RAB8B, RAB9A, RAC1, RAC2, RAC3, RACGAP1, RACK1, RALA, RALB, RAN, RAP1A, RAP1B, RAP1GDS1, RAP2B, RAP2C, RAPGEF3, RARRES1, RARS1, RASAL3, RASSF9, RBL2, RBMX, RBMXP1, RBP4, RBP5, RBSN, RDX, REG1A, REG1B, RENBP, RETN, REXO5, RFC1, RFTN1, RHCG, RHEB, RHOA, RHOB, RHOBTB3, RHOC, RHOF, RHOG, RHOJ, RHOQ, RIDA, RIMS2, RIPOR1, RNASE1, RNASE2, RNASET2, RNF11, RNH1, RNPEP, ROBO2, ROBO4, RP2, RPE, RPF1, RPL10A, RPL11, RPL12, RPL14, RPL22, RPL23, RPL23A, RPL24, RPL26, RPL26L1, RPL27, RPL28, RPL3, RPL30, RPL31, RPL34, RPL35A, RPL37A, RPL4, RPL5, RPLP0, RPLP2, RPS11, RPS13, RPS14, RPS15A, RPS16, RPS18, RPS19, RPS2, RPS20, RPS25, RPS26, RPS27A, RPS28, RPS29, RPS3, RPS3A, RPS4X, RPS5, RPS8, RPS9, RPSA, RRAS, RRAS2, RREB1, RSU1, RTN4R, RTN4RL1, RTN4RL2, RUSC2, RUVBL1, RUVBL2, RYR1, S100A10, S100A11, S100A14, S100A16, S100A4, S100A6, S100A8, S100A9, S100P, SAA1, SAA2, SAA4, SAFB2, SAMM50, SARS1, SAT1, SAT2, SBSN, SCAMP2, SCAMP3, SCARB1, SCARB2, SCEL, SCGB1A1, SCGB3A1, SCIN, SCN10A, SCN11A, SCNN1A, SCNN1B, SCNN1G, SCPEP1, SCRIB, SCRN2, SDC1, SDC4, SDCBP, SDCBP2, SDF4, SEC13, SEC14L2, SEC14L3, SECTM1, SELENBP1, SELENOP, SELP, SEMA3C, SEMA3G, SEMA5A, SEMG1, SEMG2, SEPTIN2, SEPTIN7, SERBP1, SERINC2, SERINC5, SERPINA1, SERPINA10, SERPINA3, SERPINA4, SERPINA5, SERPINA6, SERPINA7, SERPINB1, SERPINB13, SERPINB3, SERPINB6, SERPINB8, SERPINB9, SERPINC1, SERPIND1, SERPINE1, SERPINF1, SERPINF2, SERPING1, SERPINI1, SERPINI2, SFN, SFRP1, SFT2D2, SGSH, SH3BGRL, SH3BGRL3, SH3BP4, SHBG, SHMT1, SHMT2, SHROOM2, SI, SIAE, SIRPA, SIT1, SLAMF1, SLAMF6, SLC12A1, SLC12A2, SLC12A3, SLC12A9, SLC13A2, SLC13A3, SLC15A2, SLC16A1, SLC1A1, SLC1A4, SLC1A5, SLC20A2, SLC22A11, SLC22A12, SLC22A13, SLC22A2, SLC22A5, SLC22A6, SLC22A8, SLC23A1, SLC25A1, SLC25A3, SLC26A11, SLC26A2, SLC26A4, SLC26A9, SLC27A2, SLC2A1, SLC2A3, SLC2A4, SLC2A5, SLC35F6, SLC36A2, SLC37A2, SLC38A1, SLC39A5, SLC3A1, SLC3A2, SLC44A1, SLC44A2, SLC44A4, SLC46A3, SLC4A1, SLC4A4, SLC5A1, SLC5A10, SLC5A12, SLC5A2, SLC5A5, SLC5A8, SLC5A9, SLC6A13, SLC6A14, SLC6A19, SLC7A5, SLC9A1, SLC9A3, SLCO4C1, SLIT2, SLK, SLPI, SLURP1, SMC2, SMO, SMPD1, SMPDL3A, SMPDL3B, SMR3B, SMS, SMURF1, SNAP23, SNCG, SND1, SNF8, SNRPD1, SNRPD2, SNX18, SNX3, SNX9, SOD1, SOD2, SOD3, SORD, SORL1, SPAG9, SPAST, SPATA31H1, SPEN, SPINK1, SPINT1, SPN, SPON2, SPP1, SPPL2A, SPR, SPRR3, SPTAN1, SPTBN1, SPTBN4, SQSTM1, SRC, SRI, SRPRA, SRSF7, SSBP1, SSR4, ST13, ST13P4, ST3GAL1, ST3GAL6, STAMBP, STAU1, STEAP4, STK10, STK11, STK24, STK25, STK26, STK3, STMN1, STOM, STRIP1, STX3, STX4, STX7, STXBP1, STXBP2, STXBP3, STXBP4, SUB1, SUCLA2, SUCNR1, SULT2B1, SUSD2, SVIP, SYAP1, SYNE2, SYNGR2, SYPL1, SYT7, SYTL1, TAB3, TACSTD2, TAF6L, TAGLN2, TALDO1, TAOK1, TAP2, TARS1, TAX1BP1, TAX1BP3, TBC1D10A, TBC1D21, TCP1, TECTA, TEKT3, TEKTL1, TEX14, TF, TFRC, TGFBI, TGFBR3, TGM1, TGM2, TGM3, TGM4, THBS1, THBS4, THRAP3, THSD4, THY1, TIAM2, TIMP1, TINAGL1, TKFC, TKT, TLN1, TM7SF3, TM9SF2, TMBIM1, TMC4, TMC5, TMC6, TMC8, TMED9, TMEM109, TMEM132A, TMEM256, TMEM38A, TMEM52B, TMEM59, TMEM63A, TMEM98, TMPRSS11B, TMPRSS11D, TMPRSS2, TNFAIP3, TNFRSF8, TNFSF10, TNFSF13, TNIK, TNPO1, TNXA, TNXB, TOLLIP, TOM1, TOM1L1, TOM1L2, TOMM70, TOR1A, TOR1B, TOR3A, TPI1, TPM3, TPM4, TPP1, TPRG1L, TPT1, TRAM1, TREH, TRHDE, TRIP10, TRMT10A, TSG101, TSPAN1, TSPAN3, TSPAN6, TSPAN8, TSPO, TTC38, TTN, TTR, TTYH3, TUBA1A, TUBA4A, TUBB, TUBB1, TUBB2A, TUBB3, TUBB4A, TUBB4B, TUBB6, TUBB8, TUBB8B, TUFM, TUT4, TWF2, TXN, TXNDC16, TXNDC17, TXNDC5, TXNDC8, TXNRD1, TYK2, UACA, UBA1, UBA52, UBAC1, UBASH3A, UBB, UBC, UBE2D2, UBE2D3, UBE2G1, UBE2N, UBE2NL, UBE2V1, UBE2V2, UBL3, UBXN6, UEVLD, UFC1, UGDH, UGGT1, UGP2, UMOD, UPB1, UPK1A, UPK1B, UPK2, UPK3A, USP14, UTRN, UXS1, VAMP5, VAMP7, VAMP8, VASN, VASP, VAT1, VCAM1, VCL, VCP, VDAC1, VDAC3, VIL1, VIM, VMO1, VPS13C, VPS13D, VPS25, VPS28, VPS35, VPS36, VPS37B, VPS37C, VPS37D, VPS4A, VPS4B, VPS50, VTA1, VTN, VWA1, VWA2, VWF, WARS1, WAS, WASF2, WASF3, WASL, WDR1, WFDC2, WIZ, WLS, WNT1, WNT3, WNT3A, WNT4, WNT5A, WNT5B, WNT6, WNT7A, WNT7B, WWP1, WWP2, XPNPEP1, XPNPEP2, YBX1, YES1, YWHAB, YWHAE, YWHAG, YWHAH, YWHAQ, YWHAZ, ZDHHC1, ZG16B, ZMPSTE24, ZNF114, ZNF486, ZNHIT6

Trigofoenoside D

2-[(3-hydroxy-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O23 (1064.5403)


Protogracillin is a steroid saponin. Protogracillin is a natural product found in Tribulus terrestris, Paris polyphylla var. chinensis, and other organisms with data available. Trigofoenoside D is found in fenugreek. Trigofoenoside D is isolated from seeds of fenugreek (Trigonella foenum-graecum). Protogracillin is a steroidal saponin isolated from Dioscorea zingiberensis Wright (DZW). Steroidal saponins from DZW rhizomes have the potential to reduce the risk of cardiovascular diseases by anti-thrombotic action[1]. Protogracillin is a steroidal saponin isolated from Dioscorea zingiberensis Wright (DZW). Steroidal saponins from DZW rhizomes have the potential to reduce the risk of cardiovascular diseases by anti-thrombotic action[1].

   

Laurolitsine

4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol

C18H19NO4 (313.1314)


Laurolistine is an aporphine alkaloid that is noraporphine substituted by hydroxy groups at positions 2 and 9 and methoxy groups at positions 1 and 10. Isolated from Litsea glutinosa and Lindera chunii, exhibits inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is a member of phenols, an aromatic ether and an aporphine alkaloid. It is functionally related to an aporphine. Laurolitsine is a natural product found in Damburneya salicifolia, Neolitsea sericea, and other organisms with data available. Laurolitsine is an alkaloid from Sassafras and the leaves of Peumus boldus (boldo). Laurolitsine is a flavouring ingredient. Alkaloid from Sassafras and the leaves of Peumus boldus (boldo). Flavouring ingredient

   

Deltonin

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5R,6R,7S,8R,9S,12S,13R,16S)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C45H72O17 (884.4769)


Deltonin is a triterpenoid. Deltonin is a natural product found in Ophiopogon planiscapus, Allium vineale, and other organisms with data available. Deltonin is found in onion-family vegetables. Deltonin is a constituent of Allium vineale (wild garlic) Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation. Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation. Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation.

   

Apovincamine

Methyl (13aS,13bS)-13a-Ethyl-2,3,5,6,13a,13b-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (Apovincamine)

C21H24N2O2 (336.1838)


Apovincamine is an alkaloid. Apovincamine is a natural product found in Euglena gracilis with data available. C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids

   

Glucoobtusifolin

8-hydroxy-1-methoxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione

C22H22O10 (446.1213)


Obtusifolin 2-glucoside is an anthraquinone. Obtusifolin 2-glucoside is a natural product found in Senna obtusifolia and Senna tora with data available. Glucoobtusifolin is found in coffee and coffee products. Glucoobtusifolin is isolated from seeds of Cassia tora (charota

   

2'-Hydroxydaidzein

2,4,7-Trihydroxyisoflavone; 2-Hydroxydaidzein; 7,2,4-Trihydroxyisoflavone

C15H10O5 (270.0528)


2-hydroxydaidzein is a hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 2. It has a role as an anti-inflammatory agent. It is functionally related to a daidzein. It is a conjugate acid of a 2-hydroxydaidzein(1-). 2-Hydroxydaidzein is a natural product found in Viola hondoensis, Crotalaria pallida, and other organisms with data available. Isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus lunatus (butter bean). 2-Hydroxydaidzein is found in many foods, some of which are butternut squash, ginger, summer grape, and yam. 2-Hydroxydaidzein is found in common bean. 2-Hydroxydaidzein is isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus lunatus (butter bean A hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 2. 2′-Hydroxydaidzein is a metabolite. 2′-Hydroxydaidzein inhibits the release of chemical mediator from inflammatory cells. 2′-Hydroxydaidzein significantly inhibits lysozyme and β-glucuronidase release from rat neutrophils, which is stimulated with fMLP/CB, respectively[1].

   

Cyclomorusin

11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{17,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one

C25H22O6 (418.1416)


Cyclomorusin A is an extended flavonoid that is cyclomulberrin in which the hydroxy group at position 10 has undergone oxidative cyclisation to position 3 of the 3-methylbut-2-en-1-yl substituent, with migration of the double bond into conjugation with the aromatic ring. It is a moderate inhibitor of acetylcholinesterase (IC50 = 16.2 - 36.6 muM), and a strong inhibitor of platelet-activating factor (PAF; 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine) induced platelet aggregation. It has a role as a plant metabolite, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a platelet aggregation inhibitor and an EC 1.14.18.1 (tyrosinase) inhibitor. It is an extended flavonoid, an organic heteropentacyclic compound, a cyclic ketone and a polyphenol. It is functionally related to a cyclomulberrin. Cyclomorusin is a natural product found in Artocarpus altilis, Morus lhou, and other organisms with data available. An extended flavonoid that is cyclomulberrin in which the hydroxy group at position 10 has undergone oxidative cyclisation to position 3 of the 3-methylbut-2-en-1-yl substituent, with migration of the double bond into conjugation with the aromatic ring. It is a moderate inhibitor of acetylcholinesterase (IC50 = 16.2 - 36.6 muM), and a strong inhibitor of platelet-activating factor (PAF; 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine) induced platelet aggregation. Isolated from the root bark of Morus alba (white mulberry)and is also from Artocarpus altilis (breadfruit). Cyclomorusin is found in breadfruit and fruits. Cyclomorusin is found in breadfruit. Cyclomorusin is isolated from the root bark of Morus alba (white mulberry). Also from Artocarpus altilis (breadfruit

   

Trispherine

(2S,3S,9S,10S)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one

C17H17NO5 (315.1107)


Hippeastrine is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. Hippeastrine is a natural product found in Pancratium trianthum, Pancratium canariense, and other organisms with data available.

   

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.

   

Isoteolin

4H-Dibenzo(de,g)quinolinediol, 5,6,6a,7-tetrahydro-2,9(or 2,10)-dimethoxy-6-methyl-, (S)-

C19H21NO4 (327.1471)


Isoboldine is an aporphine alkaloid. (+)-Isoboldine is a natural product found in Fumaria capreolata, Thalictrum foetidum, and other organisms with data available. See also: Peumus boldus leaf (part of).

   

DIMETHACHLOR

DIMETHACHLOR

C13H18ClNO2 (255.1026)


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

   

propachlor

propachlor

C11H14ClNO (211.0764)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 708 CONFIDENCE standard compound; INTERNAL_ID 3622 CONFIDENCE standard compound; INTERNAL_ID 8397

   

3-hydroxybenzyl alcohol

3-Hydroxybenzenemethanol

C7H8O2 (124.0524)


A hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. KSD 2405 is an endogenous metabolite.

   

Biocytin

(3AS-(3aalpha,4beta,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)-L-lysine

C16H28N4O4S (372.1831)


Biocytin is a naturally occurring low molecular weight analog of biotin, and a primary source of this essential metabolite for mammals. Biotinidase acts as a hydrolase by cleaving biocytin and biotinyl-peptides, thereby liberating biotin for reutilization. Mammals cannot synthesize biotin and, therefore, derive the vitamin from dietary sources or from the endogenous turnover of the carboxylases. Free biotin can readily enter the biotin pool, whereas holocarboxylases or other biotin-containing proteins must first be degraded proteolytically to biocytin (biotinyl-e-lysine) or biotinyl-peptides. Biocytin is also an especially versatile marker for neuroanatomical investigations, shown that may have multiple applications, especially for labeling neurons. (PMID: 8930409, 1384763, 2479450) [HMDB] Biocytin is a naturally occurring low molecular weight analog of biotin, and a primary source of this essential metabolite for mammals. Biotinidase acts as a hydrolase by cleaving biocytin and biotinyl-peptides, thereby liberating biotin for reutilization. Mammals cannot synthesize biotin and, therefore, derive the vitamin from dietary sources or from the endogenous turnover of the carboxylases. Free biotin can readily enter the biotin pool, whereas holocarboxylases or other biotin-containing proteins must first be degraded proteolytically to biocytin (biotinyl-e-lysine) or biotinyl-peptides. Biocytin is also an especially versatile marker for neuroanatomical investigations, shown that may have multiple applications, especially for labeling neurons. (PMID:8930409, 1384763, 2479450).

   

Ethiolate

Ethiolate

C7H15NOS (161.0874)


   

Thifensulfuron-methyl

methyl 3-{[N-(6-methoxy-4-methyl-1,2-dihydro-1,3,5-triazin-2-ylidene)-(C-hydroxycarbonimidoyl)amino]sulfonyl}thiophene-2-carboxylate

C12H13N5O6S2 (387.0307)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 124 CONFIDENCE standard compound; INTERNAL_ID 3688

   

dIMP

[(2R,3S,4R,5R)-3-Hydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

C10H13N4O7P (332.0522)


dIMP is a deoxyribonucleoside and is considered a derivative of the nucleoside inosine, differing from the latter by the replacement of a hydroxyl group (-OH) by hydrogen (-H) at the 2 position of its ribose sugar moiety. The hydrolytic deamination of dAMP residues in DNA yields dIMP residues. The deamination of adenine residues in DNA generates hypoxanthine, which is mutagenic since it can pair not only with thymine but also with cytosine and therefore would result in A-T to G-C transitions after DNA replication. Hypoxanthine DNA glycosylase (EC 3.2.2.15) excises hypoxanthine from DNA containing dIMP residues in mammalian cells. (PMID: 10684927, 8016081) [HMDB] dIMP is a deoxyribonucleoside and is considered a derivative of the nucleoside inosine, differing from the latter by the replacement of a hydroxyl group (-OH) by hydrogen (-H) at the 2 position of its ribose sugar moiety. The hydrolytic deamination of dAMP residues in DNA yields dIMP residues. The deamination of adenine residues in DNA generates hypoxanthine, which is mutagenic since it can pair not only with thymine but also with cytosine and therefore would result in A-T to G-C transitions after DNA replication. Hypoxanthine DNA glycosylase (EC 3.2.2.15) excises hypoxanthine from DNA containing dIMP residues in mammalian cells. (PMID: 10684927, 8016081). Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Carbinoxamine

{2-[(4-chloro-phenyl)-pyridin-2-yl-methoxy]-ethyl}-dimethyl-amine

C16H19ClN2O (290.1186)


Carbinoxamine, also known as carbinoxamine maleate or clistin, is a member of the class of compounds known as benzylethers. Benzylethers are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Carbinoxamine is practically insoluble (in water) and a very strong basic compound (based on its pKa). Carbinoxamine can be found in barley and garden onion, which makes carbinoxamine a potential biomarker for the consumption of these food products. Carbinoxamine can be found primarily in blood and urine. In humans, carbinoxamine is involved in the carbinoxamine h1-antihistamine action. Carbinoxamine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Carbinoxamine is a drug which is used for symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Carbinoxamine (Clistin, Palgic, Rondec, Rhinopront) is a antihistamine and anticholinergic agent. It was first launched in the United States by the McNeil Corporation under the brand name Clistin. It is now available under the brand name Palgic as 4 mg tablets or 4 mg/5 mL liquid. It is approved by the U.S. Food and Drug Administration (FDA) (specifically at the 4 mg dose/strength) for hay fever (a.k.a. allergic rhinitis, SAR and PAR); vasomotor rhinitis; mild urticaria; angioedema, dermatographism and allergic conjunctivitis. Carbinoxamine is a histamine antagonist, specifically an H1-antagonist. The maleic acid salt of the levorotatory isomer is sold as the prescription drug rotoxamine . Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamines anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown (DrugBank). Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamines anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown (T3DB). Carbinoxamine is a first generation antihistamine that competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. The product label for carbinoxamine as an over the counter cough and cold medicine is being modified to state do not use in children under 4 years of age in order to prevent and reduce misuse, as many unapproved carbinoxamine-containing preparations contained inappropriate labeling, which promoted unapproved uses (including management of congestion, cough, the common cold, and the use in children under 2 years of age), which can potentially cause serious health risks. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Flumetsulam

2`,6`-difluoro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfoanilide

C12H9F2N5O2S (325.0445)


CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6611 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6586; ORIGINAL_PRECURSOR_SCAN_NO 6583 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3121; ORIGINAL_PRECURSOR_SCAN_NO 3116 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6618; ORIGINAL_PRECURSOR_SCAN_NO 6616 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3120; ORIGINAL_PRECURSOR_SCAN_NO 3118 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6624; ORIGINAL_PRECURSOR_SCAN_NO 6622 INTERNAL_ID 304; 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 6586; ORIGINAL_PRECURSOR_SCAN_NO 6583 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6574; ORIGINAL_PRECURSOR_SCAN_NO 6571 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3185; ORIGINAL_PRECURSOR_SCAN_NO 3182 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6622; ORIGINAL_PRECURSOR_SCAN_NO 6620 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3111; ORIGINAL_PRECURSOR_SCAN_NO 3109 CONFIDENCE standard compound; INTERNAL_ID 304; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3122; ORIGINAL_PRECURSOR_SCAN_NO 3119 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1057

   

Phenthoate

ethyl 2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-2-phenylacetate

C12H17O4PS2 (320.0306)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

   

Monolinuron

3-(4-Chlorophenyl)-1-methoxy-1-methylurea

C9H11ClN2O2 (214.0509)


CONFIDENCE standard compound; INTERNAL_ID 955; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8335; ORIGINAL_PRECURSOR_SCAN_NO 8330 CONFIDENCE standard compound; INTERNAL_ID 955; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8309; ORIGINAL_PRECURSOR_SCAN_NO 8304

   

16(R)-HETE

(5Z,8Z,11Z,14Z)-(16R)-16-Hydroxyeicosa-5,8,11,14-tetraenoic acid

C20H32O3 (320.2351)


16(R)-HETE is a metabolite of arachidonic acid, metabolized by the enzyme Cytochrome P450, family 2, subfamily C [EC:1.14.13.80 1.14.13.48 1.14.13.49]. 16(R)-HETE is an endogenous lipidic inhibitor of human neutrophil inhibitor of adhesion and aggregation activity. Human polymorphonuclear leukocytes (PMNs) produce 16(R)-HETE that modulates their function. HETEs have different biological properties based on sites of production and can be stored in tissue lipids and released in response to hormonal stimuli. Eicosanoids generated during the actions of growth factors and vasoconstrictors can modulate disease processes by affecting vascular homeostasis, inflammation, cellular growth, apoptosis and oxidant stress. In lung, the presence of these eicosanoids in the pulmonary vasculature and airways, including effects on pulmonary vascular and bronchial smooth muscle tone and airway epithelial ion transport. (PMID: 16258232, 14626496, 12681244, 11123211, 14552765, 11126912) [HMDB] 16(R)-HETE is a metabolite of arachidonic acid, metabolized by the enzyme Cytochrome P450, family 2, subfamily C [EC:1.14.13.80 1.14.13.48 1.14.13.49]. 16(R)-HETE is an endogenous lipidic inhibitor of human neutrophil inhibitor of adhesion and aggregation activity. Human polymorphonuclear leukocytes (PMNs) produce 16(R)-HETE that modulates their function. HETEs have different biological properties based on sites of production and can be stored in tissue lipids and released in response to hormonal stimuli. Eicosanoids generated during the actions of growth factors and vasoconstrictors can modulate disease processes by affecting vascular homeostasis, inflammation, cellular growth, apoptosis and oxidant stress. In lung, the presence of these eicosanoids in the pulmonary vasculature and airways, including effects on pulmonary vascular and bronchial smooth muscle tone and airway epithelial ion transport. (PMID: 16258232, 14626496, 12681244, 11123211, 14552765, 11126912).

   

N-Acetylanthranilate

2-(Acetylamino)-benzoic acid

C9H9NO3 (179.0582)


   

Zeranol

7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one

C18H26O5 (322.178)


Zeranol is isolated from Fusarium species. It is an anabolic agent and estrogenic agent (mainly veterinary use). Zeranol is used as a growth promoter for food animals. It was banned by the EU in 1989, but is still permitted in the USA and some other countries. It may also arise in livestock by ingestion of Fusarium contaminated pasture or feeds D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Same as: D06362

   

Difenoxin

1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid

C28H28N2O2 (424.2151)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07D - Antipropulsives > A07DA - Antipropulsives C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent

   

Metycaine

Piperocaine

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Paramethasone Acetate

6alpha-fluoro-11beta,17alpha,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione acetate

C24H31FO6 (434.2105)


C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid Same as: D01229

   

4-Chloro-2-methylaniline

4-Chloro-2-methylaniline hydrochloride

C7H8ClN (141.0345)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents

   

Norlichexanthone

1,3,6-Trihydroxy-8-methyl-9H-xanthen-9-one

C14H10O5 (258.0528)


   

Confertin

Anhydrocumanin

C15H20O3 (248.1412)


A natural product found in Inula hupehensis. A pseudoguaianolide that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by an oxo group at position 5, methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis.

   

2-METHYLPYRROLIDINE

(R)-2-Methyl-pyrrolidine

C5H11N (85.0891)


A member of the class of pyrrolidines that is pyrrolidine which is substituted by a methyl group at position 2. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RGHPCLZJAFCTIK-UHFFFAOYSA-N_STSL_0186_2-Methylpyrrolidine_0500fmol_180831_S2_L02M02_68; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

Anthraflavin

2,6-DIHYDROXY-ANTHRAQUINONE

C14H8O4 (240.0423)


A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10. CONFIDENCE standard compound; INTERNAL_ID 8171

   

2-Aminobenzenesulfonic acid

1-Aminobenzene-2-sulphonic acid

C6H7NO3S (173.0147)


2-Aminobenzenesulfonic acid is an endogenous metabolite.

   

Rufloxacin

7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.0⁵,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

C17H18FN3O3S (363.1053)


Rufloxacin belongs to the family of Phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors Same as: D02474

   

4-Hydroxybenzeneacetonitrile

4-Hydroxybenzylcyanide, 14C-labeled

C8H7NO (133.0528)


Isolated from white mustard (Brassica alba) as a dec. product of 4-Hydroxybenzyl glucosinolate KZZ54-K. 4-Hydroxybenzeneacetonitrile is found in many foods, some of which are cucumber, strawberry, black-eyed pea, and jute. 4-Hydroxybenzeneacetonitrile is found in herbs and spices. 4-Hydroxybenzeneacetonitrile is isolated from white mustard (Brassica alba) as a decomposition product of 4-Hydroxybenzyl glucosinolate KZZ54-K 4-Hydroxybenzyl cyanide is an endogenous metabolite. 4-Hydroxybenzyl cyanide is an endogenous metabolite.

   

D-4-Hydroxyphenylglycine

2-amino-2-(4-hydroxyphenyl)acetic acid

C8H9NO3 (167.0582)


The D-enantiomer of 4-hydroxyphenylglycine. A non-proteinogenic amino acid found in Herpetosiphon aurantiacus. D004791 - Enzyme Inhibitors

   

xi-gamma-Undecalactone

2(3H)-Furanone, 5-heptyldihydro-

C11H20O2 (184.1463)


(±)-5-Heptyldihydro-2(3H)-furanone is a flavouring ingredient. [Raw Data] CB092_gamma-Undecalactone_pos_20eV_CB000039.txt [Raw Data] CB092_gamma-Undecalactone_pos_30eV_CB000039.txt [Raw Data] CB092_gamma-Undecalactone_pos_10eV_CB000039.txt

   

Boc-Asn

4-amino-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid

C9H16N2O5 (232.1059)


KEIO_ID B023

   

4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid

6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C12H18O13 (370.0747)


Prepd. from pectin by enzymic hydrolysis using yeast or mould pectinases or by acid hydrolysis. Sole or major repeating unit of the pectin class of polysaccharides. Prepd. from pectin by enzymic hydrolysis using yeast or mould pectinases or by acid hydrolysis. Sole or major repeating unit of the pectin class of polysaccharides KEIO_ID D100

   

4-Fluorobenzoic acid

4-Fluorobenzoic acid, copper (+2) salt dihydrate

C7H5FO2 (140.0274)


KEIO_ID F023

   

1-Palmitoylglycerophosphocholine

1-Palmitoylglycerophosphocholine

[C24H51NO7P]+ (496.3403)


   

Cytidine 3'-monophosphate

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

C9H14N3O8P (323.0518)


Cytidine 3-monophosphate (3-CMP), also known as 3-cytidylic acid or 3-cytidylate, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Cytidine 3-monophosphate has been identified in the human placenta (PMID: 32033212). Acquisition and generation of the data is financially supported in part by CREST/JST.

   

Demethylmedicarpin

(6aR,11aR)-3,9-Dihydroxypterocarpan

C15H12O4 (256.0736)


   

Fenazaquin

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline

C20H22N2O (306.1732)


   

N-Phenethylacetamide

N-(2-Phenylethyl)-acetamide

C10H13NO (163.0997)


   

4-Hydroxy-3-prenylbenzoate

3-dimethylallyl-4-hydroxybenzoic acid

C12H14O3 (206.0943)


   

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].

   

Altersolanol A

1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione

C16H16O8 (336.0845)


CONFIDENCE isolated standard

   

Taurohyocholate

2-[(4R)-4-[(2R,5R,7R,8R,9S,15R)-5,8,9-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid

C26H45NO7S (515.2917)


Taurohyocholate is a bile acid. It is a product of the metabolism of Taurochenodeoxycholate which is catalyzed by the enzyme CYP3A4. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135) [HMDB] Taurohyocholate is a bile acid. It is a product of the metabolism of Taurochenodeoxycholate which is catalyzed by the enzyme CYP3A4. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). CONFIDENCE standard compound; INTERNAL_ID 268

   

phenazine-1,6-dicarboxylate

Phenanzine-1_6-dicarboxylic acid

C14H8N2O4 (268.0484)


A member of the class of phenazines carrying carboxy substituents at positions 1 and 6. A natural product found in Streptomyces species. CONFIDENCE standard compound; INTERNAL_ID 187

   

Rheadine

Rhoeadine

C21H21NO6 (383.1369)


   

pumiloside

pumiloside

C26H28N2O9 (512.1795)


Annotation level-3

   

6'-O-Malonyldaidzin

3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C24H22O12 (502.1111)


Present in soy foods; potential nutriceutical. 6-Malonyldaidzin is found in many foods, some of which are soy milk, soy sauce, soy bean, and soy yogurt. 6-O-Malonyldaidzin is found in miso. 6-O-Malonyldaidzin is present in soy foods; potential nutriceutical.

   

adonixanthin

(3S,3R)-3,3-Dihydroxy-beta,beta-caroten-4-one

C40H54O3 (582.4073)


A carotenone that consists of beta,beta-caroten-4-one bearing two hydroxy substituents at positions 3 and 3 (the 3S,3R diastereomer). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

Tetrahydrospirilloxanthin

3,4,3,4-Tetrahydrospirilloxanthin

C42H64O2 (600.4906)


   

beta-tocotrienol

(2R)-2,5,8-Trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol

C28H42O2 (410.3185)


   

Deoxyribose

(2S,4R,5S)-5-(hydroxymethyl)oxolane-2,4-diol

C5H10O4 (134.0579)


Deoxyribose is an aldopentose, a monosaccharide containing five carbon atoms, and including an aldehyde functional group. It is derived from the pentose sugar ribose by the replacement of the hydroxyl group at the 2 position with hydrogen, leading to the net loss of an oxygen atom, and has chemical formula C5H10O4. In deoxyribose, the carbon furthest from the attached carbon is stripped of the oxygen atom in what would be a hydroxyl group in ribose. The common base adenine (a purine derivative) coupled to deoxyribose is called deoxyadenosine. The 5-triphosphate derivative of adenosine, commonly called adenosine triphosphate (ATP) is an important energy transport molecule in cells. -- Wikipedia [HMDB] Deoxyribose is an aldopentose, a monosaccharide containing five carbon atoms, and including an aldehyde functional group. It is derived from the pentose sugar ribose by the replacement of the hydroxyl group at the 2 position with hydrogen, leading to the net loss of an oxygen atom, and has chemical formula C5H10O4. In deoxyribose, the carbon furthest from the attached carbon is stripped of the oxygen atom in what would be a hydroxyl group in ribose. The common base adenine (a purine derivative) coupled to deoxyribose is called deoxyadenosine. The 5-triphosphate derivative of adenosine, commonly called adenosine triphosphate (ATP) is an important energy transport molecule in cells. -- Wikipedia. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thyminose is an endogenous metabolite. Thyminose is an endogenous metabolite.

   

Dihydro-5-pentyl-2(3H)-furanone

(±)-Dihydro-5-pentyl-2(3H)-furanone

C9H16O2 (156.115)


Dihydro-5-pentyl-2(3H)-furanone is found in alcoholic beverages. Dihydro-5-pentyl-2(3H)-furanone is present in blackcurrant buds and berries, melon, papaya, pineapple, peaches, apricot, wheat bread, crispbread, wines, black tea and other foodstuffs. Dihydro-5-pentyl-2(3H)-furanone is a flavouring agent Flavouring ingredient. It is used in coconut flavours.

   

Lucidin omega-methyl ether

2-(Methoxymethyl)-1,3-dihydroxyanthraquinone

C16H12O5 (284.0685)


   

Dihydroxyindole

2,3-Dihydroxyindole

C8H7NO2 (149.0477)


   

2-Hydroxymuconate

(2E,4Z)-2-hydroxymuconic acid

C6H6O5 (158.0215)


   

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

   

Erythro-4-hydroxy-L-glutamate(1-)

Hydroxyglutamic acid, erythro-(DL)-isomer

C5H9NO5 (163.0481)


4-Hydroxy-L-glutamic acid is an intermediate in the metabolism of gamma-hydroxyglutamic acid. Specifically 4-Hydroxy-L-glutamic acid combines with 2-oxoglutarate to produce 4-hydroxy-2-oxoglutarate and glutamate. The reaction can be described as: 4-Hydroxy-L-glutamate + 2-Oxoglutarate <=> 4-Hydroxy-2-oxoglutarate + L-Glutamate. This reaction is catalyzed by 4-hydroxyglutamate aminotransferase (PMID 13948827). [HMDB] Erythro-4-hydroxy-L-glutamate(1-) is also known as (2S,4R)-2-ammonio-4-Hydroxypentanedioate. Erythro-4-hydroxy-L-glutamate(1-) is considered to be soluble (in water) and acidic

   

All-trans-13,14-dihydroretinol

(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-4,6,8-trien-1-ol

C20H32O (288.2453)


All-trans-13,14-dihydroretinol is involved in the retinol metabolism pathway. In this pathway, all-trans-13,14-dihydroretinol and an acceptor molecule is reversibly converted to retinol (vitamin A) plus reduced acceptor via the enzyme all-trans-retinol 13,14-reductase (EC 1.3.99.23). (KEGG) [HMDB] All-trans-13,14-dihydroretinol is involved in the retinol metabolism pathway. In this pathway, all-trans-13,14-dihydroretinol and an acceptor molecule is reversibly converted to retinol (vitamin A) plus reduced acceptor via the enzyme all-trans-retinol 13,14-reductase (EC 1.3.99.23). (KEGG). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

4-Oxalocrotonate

(Z)-5-oxohex-2-enedioic acid

C6H6O5 (158.0215)


   

cis-Hinokiresinol

4-[(1Z,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol

C17H16O2 (252.115)


cis-Hinokiresinol, a type of lignan, is a natural compound found in various plants, particularly conifers like cypress. Lignans, including cis-Hinokiresinol, have garnered significant interest in the field of pharmacology and nutrition due to their diverse biological functions: 1. **Antioxidant Activity**: cis-Hinokiresinol exhibits antioxidant properties, which means it can help neutralize harmful free radicals in the body. This activity is important for protecting cells from oxidative stress, which is associated with aging and various diseases. 2. **Anti-Inflammatory Effects**: The compound has been found to possess anti-inflammatory properties. Chronic inflammation is linked to numerous diseases, including heart disease, cancer, and autoimmune disorders. By reducing inflammation, cis-Hinokiresinol may contribute to the prevention or treatment of these conditions. 3. **Anticancer Potential**: Some studies suggest that lignans, including cis-Hinokiresinol, may have anti-cancer properties. They may influence cancer cell growth, apoptosis (cell death), and angiogenesis (formation of new blood vessels in tumors). However, more research is needed to fully understand these effects. 4. **Estrogenic and Anti-Estrogenic Activities**: cis-Hinokiresinol and other lignans can bind to estrogen receptors in the body, exhibiting both estrogenic and anti-estrogenic effects. This dual activity might be beneficial in conditions where estrogen balance is crucial, such as in hormone-related cancers. 5. **Prebiotic Effects**: In the gut, lignans can be metabolized by gut bacteria into compounds with estrogenic or anti-estrogenic properties. This transformation contributes to the overall hormonal balance in the body and may have implications for health.

   

gamma-Humulene

(1E,6Z)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene (1E,6Z)-humula-1(11),4(13),5-triene

C15H24 (204.1878)


   

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)

   

Quercetin 3-sulfate

[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxidanesulfonic acid

C15H10O10S (381.9995)


N-acyl-d-mannosamine, also known as quercetin 3-(hydrogen sulfate) or quercetin 3-monosulphate, is a member of the class of compounds known as 3-sulfated flavonoids. 3-sulfated flavonoids are flavonoids that are sulfated at the 3-ring position of the flavonoid skeleton. Thus, N-acyl-d-mannosamine is considered to be a flavonoid lipid molecule. N-acyl-d-mannosamine is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). N-acyl-d-mannosamine can be found in dill, which makes N-acyl-d-mannosamine a potential biomarker for the consumption of this food product. N-acyl-d-mannosamine may be a unique E.coli metabolite.

   

5-Formiminotetrahydrofolic acid

5-Formimidoyltetrahydrofolic acid

C20H24N8O6 (472.1819)


5-Formiminotetrahydrofolic acid is a substrate for Formimidoyltransferase-cyclodeaminase. [HMDB] 5-Formiminotetrahydrofolic acid is a substrate for Formimidoyltransferase-cyclodeaminase.

   

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)


   

3-Oxo-delta5-steroid

3-Oxo-delta5-steroid

C19H28O (272.214)


   

NSC-14980

Cellobiose-1,5-lactone

C12H20O11 (340.1006)


   

Pseudouridine 5'-phosphate

{[(2R,3S,4R,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

C9H13N2O9P (324.0359)


Pseudouridine (5-ribosyluracil) is a ubiquitous yet enigmatic constituent of structural RNAs (transfer, ribosomal, small nuclear, and small nucleolar). Although pseudouridine (psi) was the first modified nucleoside to be discovered in RNA, and is the most abundant, its biosynthesis and biological roles have remained poorly understood since its identification as a "fifth nucleoside" in RNA. Recently, a combination of biochemical, biophysical, and genetic approaches has helped to illuminate the structural consequences of psi in polyribonucleotides, the biochemical mechanism of U-->psi isomerization in RNA, and the role of modification enzymes (psi synthases) and box H/ACA snoRNAs, a class of eukaryotic small nucleolar RNAs, in the site-specific biosynthesis of psi. Through its unique ability to coordinate a structural water molecule via its free N1-H, psi exerts a subtle but significant "rigidifying" influence on the nearby sugar-phosphate backbone and also enhances base stacking. These effects may underlie the biological role of most (but perhaps not all) of the psi residues in RNA. Certain genetic mutants lacking specific psi residues in tRNA or rRNA exhibit difficulties in translation, display slow growth rates, and fail to compete effectively with wild-type strains in mixed culture. In particular, normal growth is severely compromised in an Escherichia coli mutant deficient in a pseudouridine synthase responsible for the formation of three closely spaced psi residues in the mRNA decoding region of the 23S rRNA. Such studies demonstrate that pseudouridylation of RNA confers an important selective advantage in a natural biological context. PMID: 10902565 [HMDB]. Pseudouridine 5-phosphate is found in many foods, some of which are garland chrysanthemum, chives, broad bean, and green bell pepper. Pseudouridine (5-ribosyluracil) is a ubiquitous yet enigmatic constituent of structural RNAs (transfer, ribosomal, small nuclear, and small nucleolar). Although pseudouridine (psi) was the first modified nucleoside to be discovered in RNA, and is the most abundant, its biosynthesis and biological roles have remained poorly understood since its identification as a "fifth nucleoside" in RNA. Recently, a combination of biochemical, biophysical, and genetic approaches has helped to illuminate the structural consequences of psi in polyribonucleotides, the biochemical mechanism of U-->psi isomerization in RNA, and the role of modification enzymes (psi synthases) and box H/ACA snoRNAs, a class of eukaryotic small nucleolar RNAs, in the site-specific biosynthesis of psi. Through its unique ability to coordinate a structural water molecule via its free N1-H, psi exerts a subtle but significant "rigidifying" influence on the nearby sugar-phosphate backbone and also enhances base stacking. These effects may underlie the biological role of most (but perhaps not all) of the psi residues in RNA. Certain genetic mutants lacking specific psi residues in tRNA or rRNA exhibit difficulties in translation, display slow growth rates, and fail to compete effectively with wild-type strains in mixed culture. In particular, normal growth is severely compromised in an Escherichia coli mutant deficient in a pseudouridine synthase responsible for the formation of three closely spaced psi residues in the mRNA decoding region of the 23S rRNA. Such studies demonstrate that pseudouridylation of RNA confers an important selective advantage in a natural biological context. PMID: 10902565.

   

6-hydroxymethyl-7,8-dihydropterin

2-amino-6-(hydroxymethyl)-3,4,7,8-tetrahydropteridin-4-one

C7H9N5O2 (195.0756)


2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol, also known as hmdp cpd, belongs to pterins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol can be found in a number of food items such as cardoon, sunburst squash (pattypan squash), climbing bean, and fenugreek, which makes 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol a potential biomarker for the consumption of these food products. 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol exists in E.coli (prokaryote) and yeast (eukaryote).

   

Xanthosine 5-pyrophosphate

XDP; Xanthosine 5-pyrophosphate; Xanthosine 5-diphosphate

C10H14N4O12P2 (444.0083)


   

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).

   

Trithionate

Trithionate

O6S3-2 (191.8857)


   

Piperitenone

3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9ci

C10H14O (150.1045)


Piperitenone is a flavouring agent. It is found in grapefruit juice lemon juice, orange juice, spearmint oil and peppermint oil. It is also found in rosemary, mentha (mint), cornmint, and other herbs and spices. Piperitenone is found in citrus. Piperitenone is a flavouring agent. Piperitenone is present in grapefruit juice lemon juice, orange juice, spearmint oil and peppermint oi

   

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)


   

Prostanoic acid

7-(2-octylcyclopentyl)heptanoic acid

C20H38O2 (310.2872)


A carbocyclic fatty acid composed of heptanoic acid having a (1S,2S)-2-octylcyclopentyl substituent at position 7.

   

Pyruvatoxime

(2E)-2-(hydroxyimino)propanoic acid

C3H5NO3 (103.0269)


Synthetic dimer was found to react rapidly with pyruvate to form the expected oxime. 1H NMR spectrum of the purified oxime is superimposable with that arising when the dimer and pyruvate are mixed and the spectrum taken immediately thereafter. Then the mass spectrum of the reaction product of cycloserine dimer and methylpyruvate is totally consistent with the formation of a stable oxime derivative. Furthermore, when cycloserine is incubated with pyruvate the oxime derived from the dimer is found.(PMID: 2495795) [HMDB] Synthetic dimer was found to react rapidly with pyruvate to form the expected oxime. 1H NMR spectrum of the purified oxime is superimposable with that arising when the dimer and pyruvate are mixed and the spectrum taken immediately thereafter. Then the mass spectrum of the reaction product of cycloserine dimer and methylpyruvate is totally consistent with the formation of a stable oxime derivative. Furthermore, when cycloserine is incubated with pyruvate the oxime derived from the dimer is found.(PMID: 2495795).

   

3-Oxopentanoic acid

3-oxo-pentanoic acid

C5H8O3 (116.0473)


   

Z-Arg-Arg-NHMec

Z-Arg-Arg-NHMec; Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide

C30H39N9O6 (621.3023)


   

17-Deoxyestradiol

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

C18H24O (256.1827)


   

Pyrimidodiazepine

2-Amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine

C9H11N5O2 (221.0913)


   

2-Deoxy-L-arabinose

(2S,4R,5S)-tetrahydropyran-2,4,5-triol

C5H10O4 (134.0579)


   

Cypridina luciferin

Vargulin trifluoroacetate salt

C22H27N7O (405.2277)


   

3,5-DICHLOROCATECHOL

3,5-DICHLOROCATECHOL

C6H4Cl2O2 (177.9588)


   

Gamma-linolenoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C39H64N7O17P3S (1027.3292)


Gamma-linolenoyl-CoA is the product of a chemical reaction that involves linoleoyl-CoA desaturase which acts as a catalyst. In enzymology, linoleoyl-CoA desaturase (EC 1.14.19.3) is an enzyme that catalyzes the chemical reaction. linoleoyl-CoA + AH2 + O2 gamma-linolenoyl-CoA + A + 2 H2O. The 3 substrates of this enzyme are linoleoyl-CoA, AH2, and O2, whereas its 3 products are gamma-linolenoyl-CoA, A, and H2O. (Wikipedia). gamma-Linolenoyl-CoA is the product of a chemical reaction that involves linoleoyl-CoA desaturase which acts as a catalyst. In enzymology, linoleoyl-CoA desaturase (EC 1.14.19.3) is an enzyme that catalyzes the chemical reaction

   

2,6-Dihydroxypyridine

2,6-Dihydroxypyridine

C5H5NO2 (111.032)


   

Phosphoguanidinoacetate

2-[(E)-[amino(phosphonoamino)methylidene]amino]acetic acid

C3H8N3O5P (197.0202)


Phosphoguanidinoacetate is formed due to phosphorylation of urinary guanidinoacetic acid in the presence of ATP by guanidinoacetate kinase. (PMID: 1667626) [HMDB] Phosphoguanidinoacetate is formed due to phosphorylation of urinary guanidinoacetic acid in the presence of ATP by guanidinoacetate kinase. (PMID: 1667626).

   

S-Succinylglutathione

S-Succinylglutathione

C14H21N3O9S (407.0998)


   

2-Amino-4-oxopentanoate

2-amino-4-oxo-pentanoic acid

C5H9NO3 (131.0582)


   

Hydroxanthommatin

5,12-Dihydroxanthommatin

C20H15N3O8 (425.0859)


   

Deoxy-5-methylcytidylate

2-Deoxy-5-methylcytidine-5-monophosphate disodium salt

C10H16N3O7P (321.0726)


   

4-Methylamino-benzoic acid

4-(Methylamino)benzoic acid

C8H9NO2 (151.0633)


   

2-Phosphoadenylylsulfate

2-Phospho-5-adenylyl sulfate

C10H15N5O13P2S (506.9862)


   

4-Hydroxyphenylglyoxylic acid

4-Hydroxyphenylglyoxylic acid

C8H6O4 (166.0266)


   

8Z,11Z,14Z-eicosatrienoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C41H68N7O17P3S (1055.3605)


8Z,11Z,14Z-eicosatrienoyl-CoA participates in the biosynthesis of unsaturated fatty acids. 8Z,11Z,14Z-eicosatrienoyl-CoA is converted from (8Z,11Z,14Z)-Icosatrienoic acid via palmitoyl-CoA hydrolase [EC:3.1.2.2].

Unsaturated fatty acids are of similar form, except that one or more alkenyl functional groups exist along the chain, with each alkene substituting a single-bonded "-CH2-CH2-" part of the chain with a double-bonded "-CH=CH-" portion (that is, a carbon double-bonded to another carbon). The differences in geometry between the various types of unsaturated fatty acids, as well as between saturated and unsaturated fatty acids, play an important role in biological processes, and in the construction of biological structures (such as cell membranes). (Wikipedia)

.

8Z,11Z,14Z-eicosatrienoyl-CoA participates in the biosynthesis of unsaturated fatty acids. 8Z,11Z,14Z-eicosatrienoyl-CoA is converted from (8Z,11Z,14Z)-Icosatrienoic acid via palmitoyl-CoA hydrolase [EC:3.1.2.2].

   

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.

   

11a-Hydroxyprogesterone

(1S,2R,10S,11S,15S,17R)-14-acetyl-17-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one

C21H30O3 (330.2195)


Progesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. -- Wikipedia; Progesterones reproductive function serves to convert the endometrium to its secretory stage to prepare the uterus for implantation. If pregnancy does not occur, progesterone levels will decrease leading to menstruation in the human. Normal menstrual bleeding is a progesterone withdrawal bleeding. -- Wikipedia; During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine musculature. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. Progesterone has an effect upon vaginal epithelium and cervical mucus. -- Wikipedia [HMDB] Progesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. Progesterones reproductive function serves to convert the endometrium to its secretory stage to prepare the uterus for implantation. If pregnancy does not occur, progesterone levels will decrease leading to menstruation in the human. Normal menstrual bleeding is a progesterone withdrawal bleeding. During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine musculature. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition, progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. Progesterone has an effect upon vaginal epithelium and cervical mucus. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins

   

(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).

   

N-Acetyl-7-O-acetylneuraminic acid

(2S,4S,5R,6R)-6-[(1R,2R)-1-(Acetyloxy)-2,3-dihydroxypropyl]-2,4-dihydroxy-5-[(1-hydroxyethylidene)amino]oxane-2-carboxylate

C13H21NO10 (351.1165)


N-Acetyl-7-O-acetylneuraminic acid is a component of glycoprotein- and glycolipid-bound sialic acids present in the human erythrocyte membrane (RBC). (PMID: 12527384). N-Acetyl-7-O-acetylneuraminic acid has been detected in basaliomas and normal human skin. (PMID: 11180001). Determination of N-Acetyl-7-O-acetylneuraminic acid in human serum has been obtained by fluorometric high-performance liquid chromatography. (PMID: 2757191). N-Acetyl-7-O-acetylneuraminic acid is a component of glycoprotein- and glycolipid-bound sialic acids present in the human erythrocyte membrane (RBC). (PMID: 12527384)

   

5-Carboxy-2-oxohept-3-enedioate

5-oxopent-3-ene-1,2,5-tricarboxylic acid

C8H8O7 (216.027)


   

Muconolactone

4-Carboxymethyl-4-hydroxyisocrotonolactone

C6H6O4 (142.0266)


   

boc-dl-leucine

N(alpha)-t-Butoxycarbonyl-L-leucine

C11H21NO4 (231.1471)


   

4-Oxalomesaconate

(1E)-4-Oxobut-1-ene-1,2,4-tricarboxylate; 4-Oxalomesaconate; 4-Oxalmesaconic acid

C7H6O7 (202.0114)


   

5'-Phosphoribosyl-N-formylglycinamidine

[(2R,3S,4R,5R)-5-[(Z)-(1-amino-2-formamidoethylidene)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

C8H16N3O8P (313.0675)


5-Phosphoribosyl-N-formylglycinamidine, also known as FGAM or phosphoribosylformylglycinamidine, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. FGAM is a very strong basic compound (based on its pKa). Within humans, FGAM participates in several enzymatic reactions. FGAM is an intermediate in purine metabolism and it can be biosynthesized (along with L-glutamic acid) from 5-phosphoribosyl-N-formylglycinamide (FGAR) and L-glutamine. This reaction is catalyzed by the enzyme phosphoribosylformylglycinamidine synthase (EC 6.3.5.3). Additionally, FGAM can be converted into aminoimidazole ribotide (AIR) through its interaction with the enzyme trifunctional purine biosynthetic protein adenosine-3 (EC 6.3.3.1). Outside of the human body, FGAM has been detected, but not quantified in, several different foods, such as Welsh onions, green beans, chicories, European cranberries, and Mexican oregano. This could make FGAM a potential biomarker for the consumption of these foods. 5-Phosphoribosyl-n-formylglycineamidine is a substrate for Glucosamine-6-phosphate isomerase. [HMDB]. Phosphoribosylformylglycineamidine is found in many foods, some of which are greenthread tea, cardamom, mulberry, and carrot. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine

N-(2,4-diamino-1,6-dihydro-6-oxo-5-Pyrimidinyl)-N-methyl-formamide

C6H9N5O2 (183.0756)


2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine is a methylated derivative of 2,6-Diamino-4-hydroxy-5-N-formamidopyrimidine or FapyGua. It is produced by DNA-formamidopyrimidine glycosylase (EC 3.2.2.23). This enzyme catalyzes the hydrolysis of DNA containing ring-opened 7-methylguanine residues, releasing 2,6-diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine. More specifically, this enzyme catalyzes the removal of oxidized purine bases by cleaving the N-C1 glycosidic bond between the oxidized purine and the deoxyribose sugar. The reaction involves the formation of a covalent enzyme substrate intermediate. Release of the enzyme and free base by a beta-elimination or a beta, gamma-elimination mechanism results in the cleavage of the DNA backbone 3 of the apurinic (AP) site. The presence of this compound in urine is indicative of oxidative damage to DNA (oxidized purine base lesions) [HMDB] 2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine is a methylated derivative of 2,6-Diamino-4-hydroxy-5-N-formamidopyrimidine or FapyGua. It is produced by DNA-formamidopyrimidine glycosylase (EC 3.2.2.23). This enzyme catalyzes the hydrolysis of DNA containing ring-opened 7-methylguanine residues, releasing 2,6-diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine. More specifically, this enzyme catalyzes the removal of oxidized purine bases by cleaving the N-C1 glycosidic bond between the oxidized purine and the deoxyribose sugar. The reaction involves the formation of a covalent enzyme substrate intermediate. Release of the enzyme and free base by a beta-elimination or a beta, gamma-elimination mechanism results in the cleavage of the DNA backbone 3 of the apurinic (AP) site. The presence of this compound in urine is indicative of oxidative damage to DNA (oxidized purine base lesions).

   

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

   

8(S)-HPETE

(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyperoxyeicosa-5,9,11,14-tetraenoate

C20H32O4 (336.23)


   

Lipid A disaccharide

2,3-Bis-(β-hydroxymyristoyl)-D-glucosaminyl-(β-D-1,6)-2,3- bis(β-hydroxymyristoyl)-D-glucosaminyl β-phosphate

C68H129N2O20P (1324.8876)


   

H-Glu-Ome

4-Amino-5-methoxy-5-oxopentanoic acid

C6H11NO4 (161.0688)


   

D-Ribulose

D-(−)-Ribulose

C5H10O5 (150.0528)


   

3-Oxohexadecanoyl-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-oxohexadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C37H64N7O18P3S (1019.3241)


3-Oxohexadecanoyl-CoA has a role in the synthesis and oxidation of fatty acid. It is involved in the pathway, fatty acid elongation in mitochondria. In this pathway Acetyl-CoA is acted upon by the enzyme, acetyl-CoA C-acyltransferase to produce 3-Oxohexadecanoyl-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 the 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-Oxohexadecanoyl-CoA has a role in the synthesis and oxidation of fatty acid. It is involved in the pathway, fatty acid elongation in mitochondria. In this pathway Acetyl-CoA is acted upon by the enzyme, acetyl-CoA C-acyltransferase to produce 3-Oxohexadecanoyl-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 the 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.

   

3-Oxohexanoyl-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-oxohexanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C27H44N7O18P3S (879.1676)


3-Oxohexanoyl-CoA is an intermediate in Fatty acid elongation in mitochondria. 3-Oxohexanoyl-CoA is the 3rd to last step in the synthesis of Hexanoyl-CoA and is converted from Butanoyl-CoA via the enzyme acetyl-CoA acyltransferase 2 (EC 2.3.1.16). It is then converted to (S)-Hydroxyhexanoyl-CoA via the 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35). [HMDB]. 3-Oxohexanoyl-CoA is found in many foods, some of which are soy bean, cloudberry, other bread, and lemon thyme. 3-Oxohexanoyl-CoA is an intermediate in Fatty acid elongation in mitochondria. 3-Oxohexanoyl-CoA is the 3rd to last step in the synthesis of Hexanoyl-CoA and is converted from Butanoyl-CoA via the enzyme acetyl-CoA acyltransferase 2 (EC 2.3.1.16). It is then converted to (S)-Hydroxyhexanoyl-CoA via the 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35).

   

w Hydroxy testosterone

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

C19H28O3 (304.2038)


This compound belongs to the family of Androgens and Derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans

   

19-Oxoandrost-4-ene-3,17-dione

(2S,10R,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carbaldehyde

C19H24O3 (300.1725)


19-Oxoandrost-4-ene-3,17-dione is an intermediate in Androgen and estrogen metabolism. 19-Oxoandrost-4-ene-3,17-dione is the 4th to last step in the synthesis of 2-Methoxyestrone 3-glucuronide. It is generated from 19-Hydroxyandrost-4-ene-3,17-dione and then converted to Estrone. [HMDB] 19-Oxoandrost-4-ene-3,17-dione is an intermediate in Androgen and estrogen metabolism. 19-Oxoandrost-4-ene-3,17-dione is the 4th to last step in the synthesis of 2-Methoxyestrone 3-glucuronide. It is generated from 19-Hydroxyandrost-4-ene-3,17-dione and then converted to Estrone. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

Linalyl diphosphate

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

C10H20O7P2 (314.0684)


   

Ergosta-5,7,22,24(28)-tetraen-3beta-ol

(3S,10R,13R)-10,13-dimethyl-17-[(E,2R)-6-methyl-5-methylidenehept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

C28H42O (394.3235)


A 3beta-sterol having double bonds in the 5-, 7- and 22-positions and a methylene group at position 24.

   

3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-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-{[(2E)-2-methyl-6-[(5R,7S,9R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]hept-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C48H78N7O20P3S (1197.4235)


3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA is an intermediate in bile acid synthesis. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA is an intermediate in bile acid synthesis. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135) [HMDB]

   

3-Sulfopyruvic acid

2-Carboxy-2-oxoethanesulphonic acid

C3H4O6S (167.9729)


Sulfopyruvate, also known as 2-carboxy-2-oxoethanesulfonic acid or beta-sulfopyruvic acid, belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Sulfopyruvate is soluble (in water) and an extremely strong acidic compound (based on its pKa). Sulfopyruvate can be found in a number of food items such as french plantain, sago palm, sweet cherry, and ostrich fern, which makes sulfopyruvate a potential biomarker for the consumption of these food products. Sulfopyruvate exists in all living organisms, ranging from bacteria to humans. 3-Sulfopyruvic acid is the product of the transamination of cysteinesulfonate in a reaction catalyzed by aspartate aminotransferase. 3-sulfopyruvic acid is stable and is reduced by malate dehydrogenase to beta-sulfolactate, which is excreted in the urine. Cysteinesulfonate, 3-sulfopyruvic acid, and beta-sulfolactate are reversibly interconverted in vivo. (PMID: 3346220).

   

AC1NOTCJ

Thiourocanic acid

C6H6N2O2S (170.015)


   

4,6-Dihydroxyquinoline

6-Hydroxy-1H-quinolin-4-one

C9H7NO2 (161.0477)


4,6-Dihydroxyquinoline is the product of the conversion of 5-hydroxykynurenamine by the enzyme monoamine oxidase, both metabolites from the 5-hydroxytryptophan metabolism. (PMIDs 7160021, 312499) [HMDB] 4,6-Dihydroxyquinoline is the product of the conversion of 5-hydroxykynurenamine by the enzyme monoamine oxidase, both metabolites from the 5-hydroxytryptophan metabolism. (PMIDs 7160021, 312499). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Dihydrotricetin

5,7,3,4,5-Pentahydroxyflavanone

C15H12O7 (304.0583)


   

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.

   

3-Hydroxyisovaleryl-CoA

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

C26H44N7O18P3S (867.1676)


3-Hydroxyisovaleryl-CoA is an end product of leucine degradation. It is converted from 3-methylbut-2-enoyl-CoA by the enzyme enoyl-CoA hydratase. [HMDB] 3-Hydroxyisovaleryl-CoA is an end product of leucine degradation. It is converted from 3-methylbut-2-enoyl-CoA by the enzyme enoyl-CoA hydratase.

   

Iridodial

cis-trans-Iridodial

C10H16O2 (168.115)


   

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).

   

1-Deoxy-D-xylulose

(2S,3S,4R)-2-(hydroxymethyl)oxolane-3,4-diol

C5H10O4 (134.0579)


1-Deoxy-D-xylulose is a product of the splitting up of Pyridoxine (an intermediate in Vitamin B6 metabolism) into two components (the other one being 4-Hydroxy-L-threonine). (KEGG) [HMDB] 1-Deoxy-D-xylulose is a product of the splitting up of Pyridoxine (an intermediate in Vitamin B6 metabolism) into two components (the other one being 4-Hydroxy-L-threonine). (KEGG).

   

Leukotriene F4

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C28H44N2O8S (568.2818)


Leukotriene F4 is an intermediate in Arachidonic acid metabolism. Leukotriene F4 is converted from Leukotriene E4 via the enzyme Transferases (EC 2.3.2.-).Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Leukotriene F4 is an intermediate in Arachidonic acid metabolism. Leukotriene F4 is converted from Leukotriene E4 via the enzyme Transferases (EC 2.3.2.-).

   

beta-Erythroidine

β-Erythroidine

C16H19NO3 (273.1365)


An organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-.

   

3-Hydroxypimelyl-CoA

7-({2-[(3-{[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)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulphanyl)-5-hydroxy-7-oxoheptanoic acid

C28H46N7O20P3S (925.1731)


3-Hydroxypimelyl-CoA is an intermediate in benzoyl-CoA degradation II (anaerobic) and can be generated from the hydrolysis of 6-oxocyclohex-1-ene-1-carboxyl-CoA. It is also a substrate for the 3-hydroxypimeloyl-CoA dehydrogenase (EC 1.1.1.259 ). Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. [HMDB] 3-Hydroxypimelyl-CoA is an intermediate in benzoyl-CoA degradation II (anaerobic) and can be generated from the hydrolysis of 6-oxocyclohex-1-ene-1-carboxyl-CoA. It is also a substrate for the 3-hydroxypimeloyl-CoA dehydrogenase (EC 1.1.1.259 ). Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage.

   

2-Hydroxybiphenyl-2-sulfinate

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

C12H10O3S (234.0351)


   

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

   

5-chlorobenzene-1,2,4-triol

5-Chloro-1,2,4-trihydroxybenzene

C6H5ClO3 (159.9927)


   

(Lys8)-Vasopressin

N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

C46H65N13O12S2 (1055.4317)


D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D014667 - Vasopressins D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D050034 - Antidiuretic Agents Lysipressin (Lysine vasopressin) is antidiuretic hormone that have been found in pigs and some marsupial families. Lysipressin induces contraction of the rabbit urinary bladder smooth muscle, activate adenylate-cyclase[1][2]. Lysipressin (Lysine vasopressin) is antidiuretic hormone that have been found in pigs and some marsupial families. Lysipressin induces contraction of the rabbit urinary bladder smooth muscle, activate adenylate-cyclase[1][2].

   

3-METHYLBENZYL ALCOHOL

3-METHYLBENZYL ALCOHOL

C8H10O (122.0732)


   

Paramethadione

5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione

C7H11NO3 (157.0739)


Paramethadione is only found in individuals that have used or taken this drug. It is an anticonvulsant in the oxazolidinedione class. It is associated with fetal trimethadione syndrome, which is also known as paramethadione syndrome.Dione anticonvulsants such as paramethadione reduce T-type calcium currents in thalamic neurons (including thalamic relay neurons). This inhibits corticothalamic transmission and raises the threshold for repetitive activity in the thalamus. This results in a dampening of the abnormal thalamocortical rhythmicity proposed to underlie the 3-Hz spike-and-wave discharge seen on electroencephalogram (EEG) during absence seizures. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AC - Oxazolidine derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent

   

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

   

tetrahydrozoline

4,5-Dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-imidazole

C13H16N2 (200.1313)


R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AB - Sympathomimetics, combinations excl. corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D019999 - Pharmaceutical Solutions > D009883 - Ophthalmic Solutions D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Tetrahydrozoline (Tetryzoline), a derivative of imidazoline, is an α-adrenergic agonist that causes vasoconstriction. Tetrahydrozoline is widely used for the research of nasal congestion and conjunctival congestion[1][2].

   

Fluphenazine enanthate

2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl heptanoic acid

C29H38F3N3O2S (549.2637)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

   

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)


   

Ajugose

alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose

C36H62O31 (990.3275)


   

Propiobetaine

Beta-alanine betaine

C6H13NO2 (131.0946)


   

Sarmentosin

(Z)-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile

C11H17NO7 (275.1005)


Sarmentosin is found in fruits. Sarmentosin is isolated from Ribes nigrum (blackcurrant

   

Palmitone

hentriacontan-16-one

C31H62O (450.48)


Constituent of Piper nigrum (pepper). Palmitone is found in herbs and spices, pepper (spice), and potato. Palmitone is found in herbs and spices. Palmitone is a constituent of Piper nigrum (pepper)

   

Coronarian

alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate)

C12H18N2O12 (382.086)


   

Atisine

Anthorine

C22H33NO2 (343.2511)


A organic heterohexacyclic compound and diterpene alkaloid isolated from Aconitum anthora. In solution, it is a 2:1 mixture of readily interconvertible epimers at position 20 (the carbon attached to both the nitrogen and an oxygen atom).

   

delcosine

CID 441725

C24H39NO7 (453.2726)


   

Dehydrotremetone

1-[2-(prop-1-en-2-yl)-1-benzofuran-5-yl]ethan-1-one

C13H12O2 (200.0837)


   

Uscharidin

Uscharidin

C29H38O9 (530.2516)


   

Senegin II

(2S,3R,4S,6aR,6bR,8aS,12aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

C70H104O32 (1456.651)


A triterpenoid saponin isolated from Polygala senega var latifolia and has been shown to exhibit hypoglycemic activity.

   

Toxol

NSC247530

C13H14O3 (218.0943)


   

Rhazin

methyl (1S,12S,13S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

C21H24N2O3 (352.1787)


Akuammidine is a natural product found in Aspidosperma quebracho-blanco, Tabernaemontana citrifolia, and other organisms with data available.

   

Gniditrin

Daphne factor P1

C37H42O10 (646.2778)


   

Excoecariatoxin

22,23,24,25-Tetradehydro-simplexin

C30H40O8 (528.2723)


   

tinyatoxin

Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-hydroxybenzeneacetate)

C36H38O8 (598.2567)


A heteropentacyclic compound found in Euphorbia poissonii with molecular formula C36H38O8. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1).

   

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.

   

Psychotridine

Psychotridine

C55H62N10 (862.5159)


   

Botrydial

Botrydial

C17H26O5 (310.178)


A cytotoxic fungal metabolite isolated from plant tissues infected by phytopathogen Botrytis cinerea.

   

beta-Cubebene

(3AS-(3aalpha,3bbata,4beta,7alpha,7as*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene

C15H24 (204.1878)


Beta-cubebene, also known as (-)-B-cubebene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Beta-cubebene is a citrus and fruity tasting compound and can be found in a number of food items such as sweet basil, roman camomile, pot marjoram, and sweet bay, which makes beta-cubebene a potential biomarker for the consumption of these food products. Beta-cubebene can be found primarily in saliva. Piper cubeba, cubeb or tailed pepper is a plant in genus Piper, cultivated for its fruit and essential oil. It is mostly grown in Java and Sumatra, hence sometimes called Java pepper. The fruits are gathered before they are ripe, and carefully dried. Commercial cubebs consist of the dried berries, similar in appearance to black pepper, but with stalks attached – the "tails" in "tailed pepper". The dried pericarp is wrinkled, and its color ranges from grayish brown to black. The seed is hard, white and oily. The odor of cubebs is described as agreeable and aromatic and the taste as pungent, acrid, slightly bitter and persistent. It has been described as tasting like allspice, or like a cross between allspice and black pepper . beta-Cubebene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

   

Hernandulcin

6-(2-hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-2-en-1-one

C15H24O2 (236.1776)


Hernandulcin is a constituent of Lippia dulcis leaves and flowers. Natural sweetener more than 1000 times sweeter than sucrose Hernandulcin is a sesquiterpene with the molecular formula C15H24O2. By slightly modifying the compound, researchers have identified the two chemical groups which caused the sweet taste - the carbonyl group, and the hydroxyl group. The structure of hernandulcin is very simple, and after a panel of volunteers tasted hernandulcin, it was determined that it was 1,000 times sweeter than sugar. Hernandulcin also has a bitter aftertaste, and does not cause tooth decay, which would make it a good candidate for a mouthwash. Hernandulcin is an intensely sweet chemical compound gained from the chiefly Mexican and South American plant Lippia dulcis. Constituent of Lippia dulcis leaves and flowers. Natural sweetener more than 1000 times sweeter than sucrose

   

Isovelleral

Isovelleral

C15H20O2 (232.1463)


   

Warburganal

Warburganal

C15H22O3 (250.1569)


   

Procumbide

Antirrhinoside

C15H22O10 (362.1213)


   

Echinone

Echinone; 6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-1,4-naphthalenedione

C19H20O6 (344.126)


   

Otonecine

1H-Pyrrolizinium, 2,3,5,7a-tetrahydro-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-, (1R-(1alpha,4beta,7abeta))-

C9H15NO3 (185.1052)


   

Supinidine

[(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methanol

C8H13NO (139.0997)


Supinidine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Supinidine? can be found in borage, which makes supinidine? a potential biomarker for the consumption of this food product.

   

Grandidentatin

Grandidentatin

C21H28O9 (424.1733)


   

Sophoraisoflavanone A

Sophoraisoflavanone A

C21H22O6 (370.1416)


A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 4, a methoxy substituent at position 2 and a prenyl group at position 3.

   

Austrobailignan 1

Austrobailignan 1

C21H18O7 (382.1052)


   

(+)-galbacin

(+)-galbacin

C20H20O5 (340.1311)


   

gamma-Fagarine

4,8-Dimethoxyfuro[2,3-b]quinoline; 8-Methoxydictamnine; Fagarine

C13H11NO3 (229.0739)


Gamma-Fagarine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle. gamma-Fagarine is a natural product found in Haplophyllum bucharicum, Haplophyllum griffithianum, and other organisms with data available. gamma-Fagarine is found in fruits. gamma-Fagarine is an alkaloid from Aegle marmelos (bael fruit

   

Calystegin A3

8-azabicyclo[3.2.1]octane-1,2,3-triol

C7H13NO3 (159.0895)


Alkaloid from Solanum tuberosum (potato). Calystegin A3 is found in many foods, some of which are eggplant, alcoholic beverages, potato, and sweet potato. Calystegin A3 is found in alcoholic beverages. Calystegin A3 is an alkaloid from Solanum tuberosum (potato).

   

Calystegine B2

8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol

C7H13NO4 (175.0845)


Alkaloid from Solanum tuberosum (potato), Solanum melongena (aubergine). Calystegine B2 is found in many foods, some of which are alcoholic beverages, fruits, swamp cabbage, and eggplant. Calystegine B2 is found in alcoholic beverages. Calystegine B2 is an alkaloid from Solanum tuberosum (potato), Solanum melongena (aubergine).

   

1,3,6,8-TCDD

1,3,6,8-TETRACHLORODIBENZO-P-DIOXIN

C12H4Cl4O2 (319.8965)


D009676 - Noxae > D013723 - Teratogens > D000072317 - Polychlorinated Dibenzodioxins

   

Tebufenpyrad

1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-

C18H24ClN3O (333.1608)


CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10180 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10178 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10204; ORIGINAL_PRECURSOR_SCAN_NO 10202 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10140; ORIGINAL_PRECURSOR_SCAN_NO 10138

   

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

   

S-(p-Azidophenacyl)glutathione

S-(4-Azidophenacyl)glutathione; S-(p-Azidophenacyl)glutathione

C18H22N6O7S (466.1271)


   

NAc-AAA-ME

Methyl-N-acetyl-N-L-alanyl-N-L-alanyl alaninate

C12H21N3O5 (287.1481)


   

N-Ethylmaleimide-S-glutathione

N-Ethylmaleimide-S-glutathione

C16H22N4O8S (430.1158)


   

1-Hydroxy-2-naphthaldehyde

1-Hydroxy-2-naphthaldehyde

C11H8O2 (172.0524)


   

Benzoxazolinate

3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid

C11H9NO5 (235.0481)


   

N-Ethylphenylacetamide

Benzeneacetamide,N-ethyl-

C10H13NO (163.0997)


A monocarboxylic acid amide obtained by formal condensation of the carboxy group of phenylacetic acid with the amino group of ethylamine.

   

9-Riburonosyladenine

b-D-Ribofuranuronic acid,1-(6-amino-9H-purin-9-yl)-1-deoxy-

C10H11N5O5 (281.076)


   

FA 7:3;O4

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

C7H8O6 (188.0321)


   

6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole

5,7-dimethyl-2-(methylamino)-4-[(pyridin-3-yl)methyl]-1,3-benzothiazol-6-ol

C16H17N3OS (299.1092)


   

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)


   

11-Hydroxytabersonine

11-Hydroxytabersonine

C21H24N2O3 (352.1787)


   

Salmefamol

1-(4-Hydroxy-3-(hydroxymethyl)phenyl)-2-(4-methoxy-alpha-methylphenethylamino)ethanol

C19H25NO4 (331.1783)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist

   

Phenazocine, (-)-

Phenazocine, (-)-

C22H27NO (321.2093)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AD - Benzomorphan 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

   

Talactoferrin Alfa

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

C19H26Cl2N2O (368.1422)


D000970 - Antineoplastic Agents

   

SK&F 91581

N-[3-(1H-imidazol-4-yl)propyl]-N-methylthiourea

C8H14N4S (198.0939)


   

Lamtidine

Lamtidine

C18H28N6O (344.2324)


C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist

   

p-benzyloxybenzyl alcohol

p-benzyloxybenzyl alcohol

C14H14O2 (214.0994)


   

Abietadiene

phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bR,10aS)-

C20H32 (272.2504)


   

avermectin B2a

Antibiotic C 076B2a

C48H74O15 (890.5027)


   

Narbonolide

Narbonolide

C20H32O5 (352.225)


A 14-membererd macrolide containing seven stereocentres carrying one ethyl, one hydroxy and five methyl substituents. It is the aglycone of the antibiotic narbonomycin and an intermediate in the biosynthesis of pikromycin.

   

A 82846B

Chloroorienticin A

C73H88Cl2N10O26 (1590.5248)


   

Sanguirubine

Sanguirubine

C22H20NO5+ (378.1341)


   

Tetracenomycin A2

Tetracenomycin A2

C23H18O8 (422.1002)


   

Tetracenomycin B2

8-Demethyltetracenomycin A2

C22H16O8 (408.0845)


   

8-Demethyltetracenomycin C

8-Demethyltetracenomycin C

C22H18O11 (458.0849)


A member of the class of tetracenes that is tetracenomycin C in which the methoxy group at position 3 is replaced by a phenolic OH.

   

Tetrangulol

Tetrangulol

C19H12O4 (304.0736)


A member of the class of tetraphenes that is tetraphene-7,12-dione substituted by hydroxy groups at positions 1 and 8 and a methyl group at position 3.

   

Lagosin

Fungichromin

C35H58O12 (670.3928)


G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AA - Antibiotics Same as: D01829

   

Monobromobisphenol A

3-Monobromobisphenol A

C15H15BrO2 (306.0255)


   

Adenophostin B

Adenophostin B

C18H28N5O19P3 (711.0591)


   

(S)-ATPA

(S)-ATPA

C10H16N2O4 (228.111)


A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group.

   

9-Methyl-7-bromoeudistomin D

9-Methyl-7-bromoeudistomin D

C12H8Br2N2O (353.9003)


   

YC 170

3-Pyridinecarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-5-((phenylamino)carbonyl)-, 2-(2-pyridinyl)ethyl ester

C28H26ClN3O3 (487.1663)


   

5,8-Diethoxypsoralen

5,8-Diethoxypsoralen

C15H14O5 (274.0841)


D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators

   

TRAM-3

(2-Chlorophenyl)diphenylmethanol

C19H15ClO (294.0811)


   

palmitoyllipid A

Diphosphoryl heptaacyl lipid A

C110H208N2O26P2 (2035.449)


A member of the class of lipid As that is lipid A in which the free OH group on the N-hydroxytetradecanoyl group is carrying a palimitoyl group.

   

Leucomycin A7

Leucomycin A7

C38H63NO14 (757.4248)


   

m-Benzenedisulfonamide

benzene-1,3-disulfonamide

C6H8N2O4S2 (235.9925)


   

3,3,5,5-Tetrachloro-4,4-biphenyldiol

3,3,5,5-Tetrachloro-4,4-biphenyldiol

C12H6Cl4O2 (321.9122)


   

Dimethylstilbestrol

(E)-4,4-(1,2-Dimethyl-1,2-ethenediyl)bisphenol

C16H16O2 (240.115)


   

ZR-515

(E,E)-1-Methylethyl 11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate

C19H34O3 (310.2508)


Same as: D08200

   

4-Butylphenol

p-Hydroxybutylbenzene

C10H14O (150.1045)


   

Bis(1-methylethyl) hexanedioate

Bis(1-methylethyl) hexanedioic acid

C12H22O4 (230.1518)


Bis(1-methylethyl) hexanedioate is a food additive [Goodscents]. Food additive [Goodscents]

   

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

   

Dimethyl adipate

Hexanedioic acid, dimethyl ester

C8H14O4 (174.0892)


Dimethyl adipate belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Dimethyl adipate is a potentially toxic compound. Solvent/diluent for flavouring agents [CCD]

   

1,3-Diphenylpropane

Benzene, 1,1-(1,3-propanediyl)bis- (9ci)

C15H16 (196.1252)


1,3-Diphenylpropane is a styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heatin

   

4-chlorochalcone

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

C15H11ClO (242.0498)


   

Drostanolone

(1S,2S,4R,7S,10R,11S,14S,15S)-14-hydroxy-2,4,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

C20H32O2 (304.2402)


Drostanolone is only found in individuals that have used or taken this drug. It is a potent synthetic androgenic anabolic steroid similar to testosterone. Drostanolone is indicated in postmenopausal women with recurrent breast cancer, in a combined hormone therapy.Dromostanolone is a synthetic androgenic anabolic steroid and is approximately 5 times as potent as natural methyltestosterone. Like testosterone and other androgenic hormones, dromostanolone binds to the androgen receptor. This causes downstream genetic transcriptional changes. This ultimately causes retention of nitrogen, potassium, and phosphorus; increases protein anabolism; and decreases amino acid catabolism. The antitumour activity of dromostanolone appears related to reduction or competitive inhibition of prolactin receptors or estrogen receptors or production. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid

   

7-Hydroxy-2-acetamidofluorene

N-(7-Hydroxy-9H-fluoren-2-yl)acetamide

C15H13NO2 (239.0946)


   

1,1,1,2-Tetrachloroethane

1,1,1,2-TETRACHLOROETHANE

C2H2Cl4 (165.8911)


   

2,4-DINITROANILINE

1-Amino-2,4-dinitrobenzene

C6H5N3O4 (183.028)


   

1-nitrosonaphthalene

1-Nitrosonaphthalene

C10H7NO (157.0528)


1-nitrosonaphthalene is considered to be practically insoluble (in water) and basic

   

N-Hydroxy-1-aminonaphthalene

N-(naphthalen-1-yl)hydroxylamine

C10H9NO (159.0684)


N-Hydroxy-1-aminonaphthalene, also known as 1-Naphthylhydroxylamine or N-Hydroxy-1-naphthylamine, is classified as a member of the Naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. N-Hydroxy-1-aminonaphthalene is considered to be practically insoluble (in water) and relatively neutral

   

Hepoxilin B3

(5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl]deca-5,8-dienoic acid

C20H32O4 (336.23)


Hepoxilin B3 is a normal human epidermis eicosanoid. Hepoxilin B3 is dramatically elevated in psoriatic lesions. The primary biological action of the hepoxilins appears to relate to their ability to release calcium from intracellular stores through a receptor-mediated action. The receptor is intracellular, and appears to be G-protein coupled. The conversion of hepoxilin into its omega-hydroxy catabolite has recently been demonstrated through the action of an omega-hydroxylase. This enzyme is different from that which oxidizes leukotriene B4, as the former activity is lost when the cell is disrupted, while leukotriene B4-catabolic activity is recovered in both the intact and disrupted cell. Additionally, hepoxilin catabolism is inhibited by CCCP, a mitochondrial uncoupler, while leukotriene catabolism is unaffected. As hepoxilins cause the translocation of calcium from intracellular stores in the endoplasmic reticulum to the mitochondria, it is speculated that hepoxilin omega-oxidation takes place in the mitochondria, and the omega-oxidation product facilitates accumulation of the elevated cytosolic calcium by the mitochondria. (PMID 10692117, 11851887, 10086189) [HMDB] Hepoxilin B3 is a normal human epidermis eicosanoid. Hepoxilin B3 is dramatically elevated in psoriatic lesions. The primary biological action of the hepoxilins appears to relate to their ability to release calcium from intracellular stores through a receptor-mediated action. The receptor is intracellular, and appears to be G-protein coupled. The conversion of hepoxilin into its omega-hydroxy catabolite has recently been demonstrated through the action of an omega-hydroxylase. This enzyme is different from that which oxidizes leukotriene B4, as the former activity is lost when the cell is disrupted, while leukotriene B4-catabolic activity is recovered in both the intact and disrupted cell. Additionally, hepoxilin catabolism is inhibited by CCCP, a mitochondrial uncoupler, while leukotriene catabolism is unaffected. As hepoxilins cause the translocation of calcium from intracellular stores in the endoplasmic reticulum to the mitochondria, it is speculated that hepoxilin omega-oxidation takes place in the mitochondria, and the omega-oxidation product facilitates accumulation of the elevated cytosolic calcium by the mitochondria. (PMID 10692117, 11851887, 10086189).

   

Troxilin B3

(5Z,8Z,14Z)-(11R,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid

C20H34O5 (354.2406)


Troxilin B3 is the enzymatically formed derivative of Hepoxilin B3. Normal human epidermis incubated with exogenous AA produces 12-oxo-eicosatetraenoic acid (12-oxo-ETE), hepoxilin A3 (HxA3), and hepoxilin B3 (HxB3) through the 12- Lipoxygenase (LO) pathway. 12-LO is the major arachidonic acid (AA) oxygenation pathway in epidermal cells with total product formation generally exceeding cyclooxygenase activity. Platelet-type 12-LO has been found to be the predominant isoenzyme expressed in human and murine skin epidermis. Increased levels of nonesterified hepoxilins and trioxilins occur in the psoriatic scales. Normal human epidermis synthesized only one of the two possible 10-hydroxy epimers of HxB3 whose formation is probably catalyzed by 12-LO. Hepoxilins exert action on plasma permeability on skin, and induce a specific-receptor-dependent Ca2+ mobilization from endogenous sources and the release of AA and diacylglycerols. (PMID: 11851887) [HMDB] Troxilin B3 is the enzymatically formed derivative of Hepoxilin B3. Normal human epidermis incubated with exogenous AA produces 12-oxo-eicosatetraenoic acid (12-oxo-ETE), hepoxilin A3 (HxA3), and hepoxilin B3 (HxB3) through the 12- Lipoxygenase (LO) pathway. 12-LO is the major arachidonic acid (AA) oxygenation pathway in epidermal cells with total product formation generally exceeding cyclooxygenase activity. Platelet-type 12-LO has been found to be the predominant isoenzyme expressed in human and murine skin epidermis. Increased levels of nonesterified hepoxilins and trioxilins occur in the psoriatic scales. Normal human epidermis synthesized only one of the two possible 10-hydroxy epimers of HxB3 whose formation is probably catalyzed by 12-LO. Hepoxilins exert action on plasma permeability on skin, and induce a specific-receptor-dependent Ca2+ mobilization from endogenous sources and the release of AA and diacylglycerols. (PMID: 11851887).

   

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).

   

11,14,15-THETA

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

C20H34O5 (354.2406)


11,14,15-trihydroxyeicosatrienoic acid (11,14,15-THETA) is a metabolite of the 15-lipoxygenase (15-LO) pathway of arachidonic acid (AA). Increased amounts of 11,14,15-THETA are synthesized in subacute hypoxia. Prolonged exposure to reduced PO2 activates 15-LO in small pulmonary arteries (PA); activation of 15-LO is associated with translocation of the enzyme from the cytosol to membrane. 11,14,15-THETA is an endothelium-derived relaxing factor. (PMID: 12690037, 9812980, 15388505, 14622984) [HMDB] 11,14,15-trihydroxyeicosatrienoic acid (11,14,15-THETA) is a metabolite of the 15-lipoxygenase (15-LO) pathway of arachidonic acid (AA). Increased amounts of 11,14,15-THETA are synthesized in subacute hypoxia. Prolonged exposure to reduced PO2 activates 15-LO in small pulmonary arteries (PA); activation of 15-LO is associated with translocation of the enzyme from the cytosol to membrane. 11,14,15-THETA is an endothelium-derived relaxing factor. (PMID: 12690037, 9812980, 15388505, 14622984).

   

8(R)-Hydroperoxylinoleic acid

(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid

C18H32O4 (312.23)


8(R)-hydroperoxylinoleic acid (8(R)-EPODE) is an oxidized product of linoleic acid. Oxidized lipids such as 8(R)-HPODE can decrease cellular proteoglycan metabolism in endothelial monolayers and alter mRNA levels of major specific proteoglycans in a concentration-dependent manner. This may have implications in lipid-mediated disruption of endothelial barrier function and atherosclerosis. (PMID: 8645361, 9507987).

   

Bromobenzene-3,4-oxide

3-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene

C6H5BrO (171.9524)


This compound belongs to the family of Epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms)Volume 18, Issue 17, 4 September 2007, Pages 2001-2010) ; [2] A. Trabocchi, D. Scarpi, and A. Guarna. 2007. Structural diversity of bicyclic amino acids. Amino Acids (2008) 34: 1-24. DOI 10.1007/s00726-007-0588-y

   

4-Nitroestradiol

4-Nitroestra-1,3,5(10)-triene-3,17beta-diol

C18H23NO4 (317.1627)


   

2-Nitroestradiol

2-Nitroestra-1,3,5(10)-triene-3,17beta-diol; 2-Nitroestradiol

C18H23NO4 (317.1627)


   

2-BUTYL-3-(3,5-DIIODO-4-HYDROXYBENZOYL) BENZOFURAN

(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone

C19H16I2O3 (545.9189)


   

Trichlorostibine

Antimony(III) chloride

Cl3Sb (225.8104)


   

4-Dihydroboldenone

(1S,2R,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-en-5-one

C19H28O2 (288.2089)


4-Dihydroboldenone is a metabolite of boldenone. Boldenone is an androgenic anabolic steroid (AAS) intensively used for growth promoting purposes in animals destined for meat production and as a performance enhancer in athletics. Therefore its use is officially banned either in animals intended for consumption or in humans. Because most anabolic steroids are completely metabolized and usually no parent steroid is excreted, metabolite identification is crucial to detect the illegal use of anabolic steroids either in humans or in livestock. Androgenic anabolic steroids 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. (PMID: 2663904, 16195040, 16292586, 1663826, 16799097, 16888758, 16923823, 9249887) [HMDB] 4-Dihydroboldenone is a metabolite of boldenone. Boldenone is an androgenic anabolic steroid (AAS) intensively used for growth-promoting purposes in animals destined for meat production and as a performance enhancer in athletics. Therefore, its use is officially banned in both humans and in animals intended for human consumption. Because most anabolic steroids are completely metabolized and usually no parent steroid is excreted, metabolite identification is crucial to detect the illegal use of anabolic steroids either in humans or in livestock. Androgenic anabolic steroids 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 neuroendocrine systems, the AAS has been extensively used in sports activities (PMID: 2663904, 16195040, 16292586, 1663826, 16799097, 16888758, 16923823, 9249887). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

1-Phenyltetrazole-5-thiol

1-Phenyl-5-mercaptotetrazole

C7H6N4S (178.0313)


   

Surestryl

2-Phenanthrenecarboxylicacid, 1-ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-, (1R,2S)-rel-

C19H22O3 (298.1569)


   

4a-Hydroxytetrahydrobiopterin

(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4,4a,5,6,7,8-hexahydropteridin-4-one

C9H15N5O4 (257.1124)


Tetrahydrobiopterin (BH4) is essential for catalyzing the conversion of phenylalanine into tyrosine by phenylalanine hydroxylase. During this physiological reaction, the oxidation of BH4 creates 4a-hydroxytetrahydropterin (CAS: 70110-58-6) intermediates and hydrogen peroxide is formed. The hydrogen peroxide and the hydroxytetrahydropterin can both be derived from alternate breakdown routes of a common precursor, the corresponding 4a-hydroperoxytetrahydropterin (PMID: 8323303). Tetrahydrobiopterin (BH4) is essential to catalyze the conversion of phenylalanine to tyrosine by phenylalanine hydroxylase. During this physiological reaction, the oxidation of BH4 creates 4a-hydroxytetrahydropterin intermediates and hydrogen peroxide is formed. The hydrogen peroxide and the hydroxytetrahydropterin can both derive from alternate routes of breakdown of a common precursor, the corresponding 4a-hydroperoxytetrahydropterin. (PMID 8323303) [HMDB]

   

Lankamycin

Kujimycin B

C42H72O16 (832.482)


   

Mirosamicin

Mycinamicin II

C37H61NO13 (727.4143)


C784 - Protein Synthesis Inhibitor > C261 - Macrolide Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic

   

Barbamide

Barbamide

C20H23Cl3N2O2S (460.0546)


   

ST 28:0;O3

5alpha-campestan-3alpha,22R,23R-triol

C28H50O3 (434.376)


Typhasterol in which the oxygen atom of the keto group has been substituted by two hydrogen atoms. A member of a biosynthetic pathway to castasterone, it has been isolated from the primary roots of maize.

   

6-Deoxocastasterone

(1S,2S,4R,5S,7S,10R,11S,14R,15S)-14-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol

C28H50O4 (450.3709)


6-Deoxocastasterone belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols, and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. Thus, 6-deoxocastasterone is considered to be a sterol lipid molecule. 6-Deoxocastasterone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 6-Deoxocastasterone is found in common bean and has been isolated from Phaseolus vulgaris (kidney bean). Isolated from Phaseolus vulgaris (kidney bean). 6-Deoxocastasterone is found in many foods, some of which are jerusalem artichoke, alaska blueberry, sourdough, and yautia.

   

Iminoglycine

Iminoacetic acid

C2H3NO2 (73.0164)


   

leucokininI

Leucokinin I

C41H53N11O12 (891.3875)


   

Cervonyl coenzyme A

(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA;(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-coenzyme A;(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A;4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA;4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-coenzyme A;CoA(22:6(4Z,7Z,10Z,13Z,16Z,19Z));DHA-CoA

C43H66N7O17P3S (1077.3449)


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.

   

3-Oxooctadecanoyl-CoA

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

C39H68N7O18P3S (1047.3554)


3-Oxooctadecanoyl-CoA is a metabolite intermediate in the microsomal fatty acid chain elongation system. Microsomal electron-transport components NADPH-cytochrome P450 reductase (EC 1.6.2.4) and cytochrome b5 (EC 1.6.2.2) participate in the conversion from 3-Oxooctadecanoyl-CoA to beta-hydroxystearoyl-CoA, the first reductive step of the microsomal chain elongating system initiated by NADPH. (PMID: 6404652) [HMDB] 3-Oxooctadecanoyl-CoA is a metabolite intermediate in the microsomal fatty acid chain elongation system. Microsomal electron-transport components NADPH-cytochrome P450 reductase (EC 1.6.2.4) and cytochrome b5 (EC 1.6.2.2) participate in the conversion from 3-Oxooctadecanoyl-CoA to beta-hydroxystearoyl-CoA, the first reductive step of the microsomal chain elongating system initiated by NADPH. (PMID: 6404652).

   

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.

   

Thiobenzamide S-oxide

Phenyl(sulphinylidene)methanamine

C7H7NOS (153.0248)


   

7-Methylxanthosine

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-9λ⁵-purin-9-ylium

C11H15N4O6+ (299.0992)


7-methylxanthosine is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 7-methylxanthosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 7-methylxanthosine can be found in arabica coffee, which makes 7-methylxanthosine a potential biomarker for the consumption of this food product.

   

4-hydroxylamino-2,6-dinitrotoluene

N-(4-methyl-3,5-dinitrophenyl)hydroxylamine

C7H7N3O5 (213.0386)


4-hydroxylamino-2,6-dinitrotoluene, also known as 4-hadnt, is a member of the class of compounds known as dinitrotoluenes. Dinitrotoluenes are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups. 4-hydroxylamino-2,6-dinitrotoluene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxylamino-2,6-dinitrotoluene can be found in a number of food items such as elderberry, pigeon pea, tea leaf willow, and tree fern, which makes 4-hydroxylamino-2,6-dinitrotoluene a potential biomarker for the consumption of these food products.

   

13Z-docosenoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(13Z)-docos-13-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

C43H76N7O17P3S (1087.4231)


13Z-docosenoyl-CoA is also known as C22:1(N-9) -CoA or Erucyl-CoA. 13Z-docosenoyl-CoA is considered to be practically insoluble (in water) and acidic. 13Z-docosenoyl-CoA is a fatty ester lipid molecule

   

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)

   

6-Mercaptopurine ribonucleoside triphosphate

({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

C10H15N4O13P3S (523.9569)


6-Mercaptopurine ribonucleoside triphosphate is a metabolite of mercaptopurine. Mercaptopurine (also called 6-mercaptopurine, 6-MP or its brand name Purinethol) is an immunosuppressive drug. It is a thiopurine. (Wikipedia)

   

3-Oxovalproic acid

2-N-Propyl-3-oxopentanoic acid

C8H14O3 (158.0943)


3-Oxovalproic acid is a metabolite of valproic acid. Valproic acid (VPA) is a chemical compound and an acid that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy, bipolar disorder, and, less commonly, major depression. It is also used to treat migraine headaches and schizophrenia. VPA is a liquid at room temperature, but it can be reacted with a base such as sodium hydroxide to form the salt sodium valproate, which is a solid. (Wikipedia)

   

all-trans-5,6-Epoxyretinoic acid

(2E,4E,6E,8E)-3,7-dimethyl-9-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}nona-2,4,6,8-tetraenoic acid

C20H28O3 (316.2038)


all-trans-5,6-Epoxyretinoic acid, also known as 5,6-epoxy-atRA, is classified as a member of the retinoids. Retinoids are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. all-trans-5,6-Epoxyretinoic acid is considered to be a practically insoluble (in water) and a weak acidic compound. all-trans-5,6-Epoxyretinoic acid is an isoprenoid lipid molecule. all-trans-5,6-Epoxyretinoic acid can be found primarily in human kidney and liver tissues; and in blood and urine. Within a cell, all-trans-5,6-epoxyretinoic acid is primarily located in the cytoplasm, in the extracellular space, or near the membrane. A human metabolite taken as a putative food compound of mammalian origin [HMDB] D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

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

   

alpha-Fernenol

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid

C30H50O (426.3861)


Sorghumol is found in cereals and cereal products. Sorghumol is a constituent of Sorghum bicolor (sorghum)

   

2-(2-Methylthio)ethylmalate

2-(2-Methylthio)ethylmalic acid

C7H12O5S (208.0405)


   

2-(3-methylthio)propylmalate

2-(3-Methylthio)propylmalic acid

C8H14O5S (222.0562)


   

dihomomethionine

(S)-2-Amino-6-(methylthio)hexanoic acid

C7H15NO2S (177.0823)


A sulfur-containing amino acid consisting of 2-aminohexanoic acid having a methylthio substituent at the 6-position.

   

Coixenolide

Coixenolide

C38H70O4 (590.5274)


   

Multifloein B

Multifloein B

C27H30O15 (594.1585)


   

JI-20A

Antibiotic JI-20A

C19H39N5O9 (481.2748)


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

   

Senegin IV

Senegin IV

C81H122O39 (1718.7563)


   

Acetylatractylodinol

Acetylatractylodinol

C15H12O3 (240.0786)


Acetylatractylodinol, isolated from Atractylodes lancea, possesses antioxidant activity[1]. Acetylatractylodinol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Acetylatractylodinol, isolated from Atractylodes lancea, possesses antioxidant activity[1]. Acetylatractylodinol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

N-Acetylphinothricin

N-Acetyl-L-phosphinothricin

C7H14NO5P (223.061)


   

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.

   

7alpha-Hydroxypregnenolone

1-[(1S,2R,5S,9S,10S,11S,14S,15S)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]ethan-1-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. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

3-Hydroxybenzyl alcohol

Meta-hydroxybenzyl alcohol

C7H8O2 (124.0524)


3-Hydroxybenzyl alcohol (CAS Number 620-24-6) is a hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. It is a pink or beige to brown crystalline powder, soluble in water. KSD 2405 is an endogenous metabolite.

   

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

   

Tauro-β-muricholic acid

2-[[(4R)-4-[(3R,5R,6S,7R,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid

C26H45NO7S (515.2917)


Tauro-b-muricholic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). Tauro-b-muricholic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

   

epsilon-Tocopherol

(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol

C28H42O2 (410.3185)


Isolated from wheat bran oil. epsilon-Tocopherol is found in many foods, some of which are rye, coconut, rosemary, and fennel. epsilon-Tocopherol is found in american cranberry. epsilon-Tocopherol is isolated from wheat bran oi

   

(±)-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.

   

Phosphoribosylformylglycinamidine

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

C8H16N3O8P (313.0675)


Phosphoribosylformylglycinamidine, also known as formylglycinamidine ribonucleotide (FGAM), is a substrate for glucosamine-6-phosphate isomerase. Phosphoribosylformylglycinamidine is found in many foods, some of which are greenthread tea, cardamom, mulberry, and carrot. 5-Phosphoribosyl-n-formylglycineamidine is a substrate for Glucosamine-6-phosphate isomerase. [HMDB]. Phosphoribosylformylglycineamidine is found in many foods, some of which are greenthread tea, cardamom, mulberry, and carrot. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

19-Hydroxytestosterone

(2S,10R,14S,15S)-14-hydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

C19H28O3 (304.2038)


19-Hydroxytestosterone is an intermediate in Androgen and estrogen metabolism. 19-Hydroxytestosterone is the 4th to last step in the synthesis of 16-Glucuronide-estriol. It is generated from Testosterone via the enzyme cytochrome P450 (EC 1.14.14.1) and then converted to 19-Oxotestosterone.

   

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).

   

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

   

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-4-oxopentanoic acid

2-Amino-4-oxopentanoic acid

C5H9NO3 (131.0582)


   

2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2Z,4E,7S)-

2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2Z,4E,7S)-

C19H34O3 (310.2508)


   

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)


   

Propenylguaiacol

1-Hydroxy-2-methoxy-4-propen-1-ylbenzene

C10H12O2 (164.0837)


   

Epicholesterol

2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

C27H46O (386.3548)


   

Doisynoestrol

1-ethyl-7-methoxy-2-methyl-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid

C19H22O3 (298.1569)


   

Fenspiride

8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ol

C15H20N2O2 (260.1525)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents R - Respiratory system > R03 - Drugs for obstructive airway diseases

   

Fipexide

1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-chlorophenoxy)ethan-1-one

C20H21ClN2O4 (388.119)


N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

   

Pyrrolidine-2-carboxamide

Pyrrolidine-2-carboximidate

C5H10N2O (114.0793)


   

Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-

Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-

C20H28N2O5S (408.1719)


D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

Hex-3-en-1-al

3-hexen-1-ol, (Z)-isomer

C6H12O (100.0888)


Cis-Hex-3-en-1-ol or (Z)-3-Hexen-1-ol, also known as (3Z)-hex-3-en-1-ol or leaf alcohol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, (Z)-3-hexen-1-ol is considered to be a fatty alcohol lipid molecule. (Z)-3-Hexen-1-ol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. It is a colorless oily Liquid with an intense grassy-green odor of freshly cut green grass and leaves. Cis-Hex-3-en-1-ol is produced in small amounts by most plants and it acts as an attractant to many predatory insects. Cis-3-Hexen-1-ol is a very important aroma compound that is used in fruit and vegetable flavors and in perfumes. Hex-3-en-1-al, also known as 3-hexen-1-ol or cis-3-hexenol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Hex-3-en-1-al is soluble (in water) and an extremely weak acidic compound (based on its pKa). Hex-3-en-1-al can be found in burdock, which makes hex-3-en-1-al a potential biomarker for the consumption of this food product.

   

N-ACETYLANTHRANILIC ACID

N-Acetyl-anthranilic acid

C9H9NO3 (179.0582)


   

trimethylalanine

Beta-alanine betaine

C6H13NO2 (131.0946)


A beta-alanine derivative arising from quaternisation of the nitrogen of beta-alanine with three methyl groups and removal of the proton attached to the carboxy group. It is an osmoprotective compound accumulated by most members of the highly stress-tolerant Plumbaginaceae family. β-alanine betaine, also known as beta-homobetaine or propiobetaine, is a member of the class of compounds known as tetraalkylammonium salts. Tetraalkylammonium salts are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains. β-alanine betaine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). β-alanine betaine can be found in a number of food items such as cabbage, ohelo berry, olive, and common salsify, which makes β-alanine betaine a potential biomarker for the consumption of these food products.

   

3,3,4,4-Tetrahydrospirilloxanthin

1,1,2,2-Tetrahydro-1,1-dimethoxy-psi,psi-carotene

C42H64O2 (600.4906)


   

Demethylmedicarpin

3,9-Dihydroxypterocarpan

C15H12O4 (256.0736)


(6ar,11ar)-3,9-dihydroxypterocarpan is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Thus, (6ar,11ar)-3,9-dihydroxypterocarpan is considered to be a flavonoid lipid molecule (6ar,11ar)-3,9-dihydroxypterocarpan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (6ar,11ar)-3,9-dihydroxypterocarpan can be found in a number of food items such as bayberry, sweet bay, agave, and red bell pepper, which makes (6ar,11ar)-3,9-dihydroxypterocarpan 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.

   

fenspiride

fenspiride

C15H20N2O2 (260.1525)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents R - Respiratory system > R03 - Drugs for obstructive airway diseases

   

4-Hydroxy-L-glutamic acid

2-amino-4-hydroxypentanedioic acid

C5H9NO5 (163.0481)


An amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 4.

   

Lysipressin

[Lys8]-Vasopressin TFA

C46H65N13O12S2 (1055.4317)


D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D014667 - Vasopressins D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D050034 - Antidiuretic Agents Lysipressin (Lysine vasopressin) is antidiuretic hormone that have been found in pigs and some marsupial families. Lysipressin induces contraction of the rabbit urinary bladder smooth muscle, activate adenylate-cyclase[1][2]. Lysipressin (Lysine vasopressin) is antidiuretic hormone that have been found in pigs and some marsupial families. Lysipressin induces contraction of the rabbit urinary bladder smooth muscle, activate adenylate-cyclase[1][2].

   

fipexide

fipexide

C20H21ClN2O4 (388.119)


N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7254; ORIGINAL_PRECURSOR_SCAN_NO 7252 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7270; ORIGINAL_PRECURSOR_SCAN_NO 7268 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7288; ORIGINAL_PRECURSOR_SCAN_NO 7286 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7280; ORIGINAL_PRECURSOR_SCAN_NO 7278 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7292; ORIGINAL_PRECURSOR_SCAN_NO 7290 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7301; ORIGINAL_PRECURSOR_SCAN_NO 7299

   

ACon1_000409

5-[4-Carboxy-2-[[1,3-dioxo-3-[4-[(1-oxooctadecyl)-amino]phenyl]propyl]amino]phenoxy]isophthalicacid

C15H12O6 (288.0634)


2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one is a member of flavanones. (+/-)-Eriodictyol is a natural product found in Prunus campanulata, Lawsonia inermis, and other organisms with data available.

   

Fusarindin

3,6,8-Trihydroxy-1-methylxanthone; Fusarindin

C14H10O5 (258.0528)


Norlichexanthone is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus. It has a role as an antimalarial and a fungal metabolite. It is a member of xanthones and a polyphenol. It is a conjugate acid of a norlichexanthone(1-). Norlichexanthone is a natural product found in Arthrinium, Wardomyces anomalus, and other organisms with data available. A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus.

   

(±)-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].

   

Acetylsulfamethoxazole

N4-Acetyl-Sulfamethoxazole

C12H13N3O4S (295.0627)


D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 2672 CONFIDENCE standard compound; INTERNAL_ID 8589 CONFIDENCE standard compound; INTERNAL_ID 4117 CONFIDENCE standard compound; INTERNAL_ID 2014

   

MONOLINURON

Pesticide3_Monolinuron_C9H11ClN2O2_Urea, N-(4-chlorophenyl)-N-methoxy-N-methyl-

C9H11ClN2O2 (214.0509)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3173

   

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.

   

3-CMP

CYTIDINE-2,3-MONOPHOSPHORIC ACID

C9H14N3O8P (323.0518)


A cytidine 3-phosphate compound with a monophosphate group at the 3-position. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 Cytidine 5'-monophosphate (5'-Cytidylic acid) is a nucleotide which is used as a monomer in RNA. Cytidine 5'-monophosphate consists of the nucleobase cytosine, the pentose sugar ribose, and the phosphate group[1]. Cytidine 5'-monophosphate (5'-Cytidylic acid) is a nucleotide which is used as a monomer in RNA. Cytidine 5'-monophosphate consists of the nucleobase cytosine, the pentose sugar ribose, and the phosphate group[1].

   

N-Acetyl-DL-aspartic acid

N-Acetyl-DL-aspartic acid

C6H9NO5 (175.0481)


   

Fenazaquin

Pesticide4_Fenazaquin_C20H22N2O_4-{2-[4-(2-Methyl-2-propanyl)phenyl]ethoxy}quinazoline

C20H22N2O (306.1732)


CONFIDENCE Reference Standard (Level 1); Source fenazaquin_30102013_12_HCD30_pos.txt

   

Rufloxacin

Rufloxacin

C17H18FN3O3S (363.1053)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors Same as: D02474

   

3-Ketocholanic acid

3-Ketocholanic acid

C24H38O3 (374.2821)


CONFIDENCE standard compound; INTERNAL_ID 76

   

C8-homoserine lactone

N-Octanoyl-DL-homoserine lactone

C12H21NO3 (227.1521)


CONFIDENCE standard compound; INTERNAL_ID 203

   

Thifensulfuron-methyl

Thifensulfuron-methyl

C12H13N5O6S2 (387.0307)


   

Rhoeadine

Rhoeadine

C21H21NO6 (383.1369)


Annotation level-1

   

16-Hydroxytabersonine

16-Hydroxytabersonine

C21H24N2O3 (352.1787)


   

Hippeastrine

(2S,3S,9S,10S)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one

C17H17NO5 (315.1107)


Hippeastrine is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. Hippeastrine is a natural product found in Pancratium trianthum, Pancratium canariense, and other organisms with data available. An indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids

   

N-(2-Phenylethyl)acetamide

N-(2-Phenylethyl)acetamide

C10H13NO (163.0997)


   

2-Aminobenzenesulfonic acid

2-Aminobenzenesulfonic acid

C6H7NO3S (173.0147)


2-Aminobenzenesulfonic acid is an endogenous metabolite.

   

Tebufenpyrad

Pesticide4_Tebufenpyrad_C18H24ClN3O_1H-Pyrazole-5-carboxamide, 4-chloro-N-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-ethyl-1-methyl-

C18H24ClN3O (333.1608)


   

7,8-Dihydro-L-biopterin

2-amino-6-(1R,2S-dihydroxypropyl)-7,8-dihydro-4(1H)-pteridinone

C9H13N5O3 (239.1018)


7,8-Dihydro-L-biopterin is an oxidation product of tetrahydrobiopterin.

   

5,7,3,4,5-Pentahydroxyflavanone

5,7,3,4,5-Pentahydroxyflavanone

C15H12O7 (304.0583)


   

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].

   

3-oxodecanoyl-CoA

3-oxodecanoyl-CoA

C31H52N7O18P3S (935.2302)


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-oxodecanoic acid.

   

3-oxopalmitoyl-CoA

3-oxohexadecanoyl-CoA

C37H64N7O18P3S (1019.3241)


The S-(3-oxopalmitoyl) derivative of coenzyme A.

   

D8539_SIGMA

(9R,10R)-9,10-dihydroxyoctadecanoic acid

C18H36O4 (316.2613)


   

2-Amino-4-oxopentanoic acid

2-amino-4-oxo-pentanoic acid

C5H9NO3 (131.0582)


A derivative of valeric acid having amino and oxo substituents at the 2- and 4-positions respectively.

   

FA 6:3;O3

3-hydroxy-2E,4E-hexadienedioic acid

C6H6O5 (158.0215)


   

Leukotriene F4

L-gamma-glutamyl-S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine

C28H44N2O8S (568.2818)


A leukotriene composed of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid having (5S)-hydroxy and (6R)-(L-gamma-glutamyl-L-cystein-S-yl) substituents.

   

8R-HPETE

(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyperoxyeicosa-5,9,11,14-tetraenoate

C20H32O4 (336.23)


   

CoA 20:3

(8Z,11Z,14Z)-eicosatrienoyl-coenzyme A;8Z,11Z,14Z-eicosatrienoyl-CoA;8Z,11Z,14Z-icosatrienoyl-CoA;CoA[20:3(8Z,11Z,14Z)];all-cis-eicosa-8,11,14-trienoyl-CoA;all-cis-eicosa-8,11,14-trienoyl-coenzyme A;all-cis-icosa-8,11,14-trienoyl-CoA;all-cis-icosa-8,11,14-trienoyl-coenzyme A

C41H68N7O17P3S (1055.3605)


   

CoA 7:1;O3

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

C28H46N7O20P3S (925.1731)


   

CoA 10:1;O

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

C31H52N7O18P3S (935.2302)


   

CoA 6:1;O

3-Ketohexanoyl-coenzyme A;3-oxohexanoyl-coenzyme A;Coenzyme A, S-(3-oxohexanoate);adenosine 3-phosphoric acid 5-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester

C27H44N7O18P3S (879.1676)


   

CoA 18:1;O

16-methyl-3-oxoheptadecanoyl-CoA;16-methyl-3-oxoheptadecanoyl-coenzyme A;3-ketoisooctadecanoyl-CoA;3-ketoisooctadecanoyl-coenzyme A;3-oxoisooctadecanoyl-coenzyme A;3-oxoisostearoyl-CoA;3-oxoisostearoyl-coenzyme A

C39H68N7O18P3S (1047.3554)


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

   

CoA 16:1;O

3S-Hydroxy-9Z-hexadecenoyl-CoA

C37H64N7O18P3S (1019.3241)


   

CoA 22:1

13Z-docosenoyl-CoA;13Z-docosenoyl-coenzyme A;13cis-docosenoyl-CoA;C22:1(n-9) -CoA;C22:1(n-9)-CoA

C43H76N7O17P3S (1087.4231)


   

CoA 22:6

(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA;(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-coenzyme A;(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A;4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA;4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-coenzyme A;CoA(22:6(4Z,7Z,10Z,13Z,16Z,19Z));DHA-CoA

C43H66N7O17P3S (1077.3449)


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. It is a member of n-3 PUFA and a product of alpha-linolenoic acid metabolism.

   

palmitone

hentriacontan-16-one

C31H62O (450.48)


   

ST 28:4;O

(22E)-24-methylcholesta-5,7,22,24(24(1))-tetraen-3beta-ol

C28H42O (394.3235)


   

ST 28:0;O4

campestan-2alpha,3alpha,22R,23R-tetrol

C28H50O4 (450.3709)


   

ST 19:2;O2

17beta-hydroxy-5alpha-androst-1-en-3-one

C19H28O2 (288.2089)


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

   

(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA

3-phosphoadenosine 5-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}

C48H78N7O20P3S (1197.4235)


   

Piperitenone

2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-

C10H14O (150.1045)


   

beta-Cubebene

beta-Cubebene

C15H24 (204.1878)


A tricyclic sesquiterpene, a constituent of the leaf oil cubebene obtained from a variety of species of flowering plant.

   

Granisetronum

exo-Granisetron (Granisetron Impurity F)

C18H24N4O (312.195)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents

   

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)


   

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)


   

2-Nitroestra-1,3,5(10)-triene-3,17beta-diol

2-Nitroestra-1,3,5(10)-triene-3,17beta-diol

C18H23NO4 (317.1627)


   

4-Nitroestra-1,3,5(10)-triene-3,17beta-diol

4-Nitroestra-1,3,5(10)-triene-3,17beta-diol

C18H23NO4 (317.1627)


   

omega-Carboxy-N-acetyl-LTE4

omega-Carboxy-N-acetyl-LTE4

C25H37NO8S (511.224)


   

tetrachloroethane

1,1,1,2-TETRACHLOROETHANE

C2H2Cl4 (165.8911)


   

4-tert-Butylbenzoic acid

4-tert-Butylbenzoic acid

C11H14O2 (178.0994)


   

Epidihydrocholesterin

Epidihydrocholesterin

C27H48O (388.3705)


   

γ-Fagarine

gamma-Fagarine

C13H11NO3 (229.0739)


   

CHEBI:18450

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

C8H7NO (133.0528)


   

Fagarine

4-27-00-02211 (Beilstein Handbook Reference)

C13H11NO3 (229.0739)


   

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)


   

AIDS-098141

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

C16H12O5 (284.0685)


   

120163-18-0

8-hydroxy-1-methoxy-3-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]anthracene-9,10-dione

C22H22O10 (446.1213)


   

FR-0256

5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-

C7H6N4S (178.0313)


   

Norboldine

InChI=1\C18H19NO4\c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16\h6-8,12,19-21H,3-5H2,1-2H

C18H19NO4 (313.1314)


   

CHEBI:16667

ACETIC ACID,(4-HYDROXYPHENYL),NITRILE 4-HYDROXY-BENZYLCYANIDE

C8H7NO (133.0528)


4-Hydroxybenzyl cyanide is an endogenous metabolite. 4-Hydroxybenzyl cyanide is an endogenous metabolite.

   

c0241

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

C8H10O (122.0732)


   

19-Hydroxytestosterone

Androst-4-en-3-one,17,19-dihydroxy-, (17b)-

C19H28O3 (304.2038)


A 3-oxo Delta(4)-steroid that is testosterone which is substituted by a hydroxy group at positions 19. 19-Hydroxytestosterone is an intermediate in Androgen and estrogen metabolism. 19-Hydroxytestosterone is the 4th to last step in the synthesis of 16-Glucuronide-estriol. It is generated from Testosterone via the enzyme cytochrome P450 (EC 1.14.14.1) and then converted to 19-Oxotestosterone. [HMDB]. 19-Hydroxytestosterone is found in many foods, some of which are hedge mustard, tinda, black walnut, and babassu palm.

   

CID 11953986

CID 11953986

C48H74O15 (890.5027)


   

Antimony trichloride

Antimony trichloride

Cl3Sb (225.8104)


   

Mycinamicin II

Mycinamicin II

C37H61NO13 (727.4143)


   

N-Acetyl-ala-ala-ala-methylester

N-Acetyl-ala-ala-ala-methylester

C12H21N3O5 (287.1481)


   

Neuromedin L

Neuromedin L

C50H80N14O14S (1132.5699)


D018377 - Neurotransmitter Agents > D015320 - Tachykinins

   

Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp

Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp

C35H44N6O5 (628.3373)


   

Digalacturonic acid

4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid

C12H18O13 (370.0747)


   

Protogracillin

(3beta,22alpha,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->3)]-beta-D-glucopyranoside

C51H84O23 (1064.5403)


Protogracillin is a steroid saponin. Protogracillin is a natural product found in Tribulus terrestris, Paris polyphylla var. chinensis, and other organisms with data available. Protogracillin is a steroidal saponin isolated from Dioscorea zingiberensis Wright (DZW). Steroidal saponins from DZW rhizomes have the potential to reduce the risk of cardiovascular diseases by anti-thrombotic action[1]. Protogracillin is a steroidal saponin isolated from Dioscorea zingiberensis Wright (DZW). Steroidal saponins from DZW rhizomes have the potential to reduce the risk of cardiovascular diseases by anti-thrombotic action[1].

   

Norboldine

Norboldine; (S)-5,6,6a,7-Tetrahydro-1,10-dimethoxy-4H-dibenzo[de,g]quinoline-2,9-diol

C18H19NO4 (313.1314)


Laurolistine is an aporphine alkaloid that is noraporphine substituted by hydroxy groups at positions 2 and 9 and methoxy groups at positions 1 and 10. Isolated from Litsea glutinosa and Lindera chunii, exhibits inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is a member of phenols, an aromatic ether and an aporphine alkaloid. It is functionally related to an aporphine. Laurolitsine is a natural product found in Damburneya salicifolia, Neolitsea sericea, and other organisms with data available. An aporphine alkaloid that is noraporphine substituted by hydroxy groups at positions 2 and 9 and methoxy groups at positions 1 and 10. Isolated from Litsea glutinosa and Lindera chunii, exhibits inhibitory activity against HIV-1 integrase.

   

Deltonin

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5R,6R,7S,8R,9S,12S,13R,16S)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C45H72O17 (884.4769)


Deltonin is a triterpenoid. Deltonin is a natural product found in Ophiopogon planiscapus, Allium vineale, and other organisms with data available. Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation. Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation. Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation.

   

gluco-obtusifolin

8-hydroxy-1-methoxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione

C22H22O10 (446.1213)


Obtusifolin 2-glucoside is an anthraquinone. Obtusifolin 2-glucoside is a natural product found in Senna obtusifolia and Senna tora with data available.

   

tetrahydrozoline

tetrahydrozoline

C13H16N2 (200.1313)


R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AB - Sympathomimetics, combinations excl. corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D019999 - Pharmaceutical Solutions > D009883 - Ophthalmic Solutions D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Tetrahydrozoline (Tetryzoline), a derivative of imidazoline, is an α-adrenergic agonist that causes vasoconstriction. Tetrahydrozoline is widely used for the research of nasal congestion and conjunctival congestion[1][2].

   

paramethadione (500 mg)

paramethadione (500 mg)

C7H11NO3 (157.0739)


N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AC - Oxazolidine derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent

   

carbinoxamine

carbinoxamine

C16H19ClN2O (290.1186)


R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers 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

   

fluphenazine enanthate

fluphenazine enanthate

C29H38F3N3O2S (549.2637)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

   

4-Chloro-2-methylaniline

4-Chloro-2-methylaniline

C7H8ClN (141.0345)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents

   

4-Hydroxybenzyl cyanide

(4-Hydroxyphenyl)acetonitrile

C8H7NO (133.0528)


A hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4. 4-Hydroxybenzyl cyanide is an endogenous metabolite. 4-Hydroxybenzyl cyanide is an endogenous metabolite.

   

16-Hentriacontanone

hentriacontan-16-one

C31H62O (450.48)


A dialkyl ketone that is hentriacontane in which the hydrogens at position 16 are replaced by an oxo group.

   

Difenoxin

Difenoxin

C28H28N2O2 (424.2151)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07D - Antipropulsives > A07DA - Antipropulsives C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent

   

(R)-Mandelonitrile

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

C8H7NO (133.0528)


   

4-FLUOROBENZOIC ACID

4-FLUOROBENZOIC ACID

C7H5FO2 (140.0274)


A fluorobenzoic acid carrying a fluoro substituent at position 4.

   

gamma-linolenoyl-CoA

gamma-linolenoyl-CoA

C39H64N7O17P3S (1027.3292)


An octadecatrienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of gamma-linolenic acid.

   

Boc-Leu-OH.H2O

N-(tert-Butoxycarbonyl)-L-leucine

C11H21NO4 (231.1471)


   

sulfopyruvate

sulfopyruvate

C3H4O6S (167.9729)


   

(+)-aristolochene

(+)-aristolochene

C15H24 (204.1878)


   

2,3-Dihydroxyindole

2,3-Dihydroxyindole

C8H7NO2 (149.0477)


   

2-Deoxyinosine 5-monophosphate

2-Deoxyinosine 5-monophosphate

C10H13N4O7P (332.0522)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-Oxohexanoyl-CoA

3-Oxohexanoyl-CoA

C27H44N7O18P3S (879.1676)


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-oxohexanoic acid.

   

8Z,11Z,14Z-eicosatrienoyl-CoA

all-cis-icosa-8,11,14-trienoyl-CoA

C41H68N7O17P3S (1055.3605)


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of all-cis-icosa-8,11,14-trienoic acid.

   

8-L-Lysine vasopressin

[Lys8]-Vasopressin TFA

C46H65N13O12S2 (1055.4317)


D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D014667 - Vasopressins D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D050034 - Antidiuretic Agents Lysipressin (Lysine vasopressin) is antidiuretic hormone that have been found in pigs and some marsupial families. Lysipressin induces contraction of the rabbit urinary bladder smooth muscle, activate adenylate-cyclase[1][2]. Lysipressin (Lysine vasopressin) is antidiuretic hormone that have been found in pigs and some marsupial families. Lysipressin induces contraction of the rabbit urinary bladder smooth muscle, activate adenylate-cyclase[1][2].

   

N-Acetylneuraminic acid 9-phosphate

N-Acetylneuraminic acid 9-phosphate

C11H20NO12P (389.0723)


   

4,6-Quinolinediol

4,6-Dihydroxyquinoline

C9H7NO2 (161.0477)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

BOC-L-Asparagine

tert-Butoxycarbonylasparagine

C9H16N2O5 (232.1059)


   

Pseudouridine 5-phosphate

Pseudouridine 5-phosphate

C9H13N2O9P (324.0359)


A C-nucleoside phosphate consisting of pseudouridine having a monophosphate group at the 5-position.

   

6-HYDROXYMETHYL-7,8-DIHYDROPTERIN

6-HYDROXYMETHYL-7,8-DIHYDROPTERIN

C7H9N5O2 (195.0756)


   

erucoyl-CoA

erucoyl-CoA

C43H76N7O17P3S (1087.4231)


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of erucic acid.

   

15-dehydro-prostaglandin D2

15-dehydro-prostaglandin D2

C20H30O5 (350.2093)


The 15-dehydro derivative of prostaglandin D2.

   

Phosphoguanidinoacetate

Phosphoguanidinoacetate

C3H8N3O5P (197.0202)


   

4-[(1Z,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol

4-[(1Z,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol

C17H16O2 (252.115)


   

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)


   

3-Ketovaleric acid

3-Oxopentanoic acid

C5H8O3 (116.0473)


   

Hernandulcin

Hernandulcin

C15H24O2 (236.1776)


   

1-Deoxy-D-xylulose

1-Deoxy-D-xylulose

C5H10O4 (134.0579)


   

DEHYDROTREMETONE

Ethanone,1-[2-(1-methylethenyl)-5-benzofuranyl]-

C13H12O2 (200.0837)


   

3-hydroxyisovaleryl-CoA

3-hydroxyisovaleryl-CoA

C26H44N7O18P3S (867.1676)


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

   

3-hydroxypimeloyl-CoA

3-hydroxypimeloyl-CoA

C28H46N7O20P3S (925.1731)


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

   

lipid A-disaccharide-1-phosphate

lipid A-disaccharide-1-phosphate

C68H129N2O20P (1324.8876)


   

5-Formimidoyltetrahydrofolic acid

5-Formimidoyltetrahydrofolic acid

C20H24N8O6 (472.1819)


The 5-formimidoyl derivative of tetrahydrofolic acid.

   

MDK-4025

(2-Chlorophenyl)diphenylmethanol

C19H15ClO (294.0811)


   

Quercetin 3-sulfate

Quercetin 3-sulfate

C15H10O10S (381.9995)


   

Thiourocanic acid

Thiourocanic acid

C6H6N2O2S (170.015)


   

Chloroeremomycin

Chloroorienticin A

C73H88Cl2N10O26 (1590.5248)


A complex glycopeptide antibiotic that is isolated from Amycolatopsis orientalis.

   

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

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

C7H8O6 (188.0321)


   

(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid

(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid

C7H6O7 (202.0114)


   

D-apiose

D-apiose

C5H10O5 (150.0528)


   

UDP-D-apiose

UDP-D-apiose

C14H22N2O16P2 (536.0445)


   

7alpha-Hydroxypregnenolone

7alpha-Hydroxypregnenolone

C21H32O3 (332.2351)


A 20-oxo steroid that is pregnenolone carrying an additional hydroxy substituent at the 7alpha-position. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

Antibiotic JI-20A

Antibiotic JI-20A

C19H39N5O9 (481.2748)


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

   

Phenolic steroid

Phenolic steroid

C18H24O (256.1827)


   

2-(2-methylthioethyl)malic acid

2-(2-methylthioethyl)malic acid

C7H12O5S (208.0405)


   

2-(3-methylthiopropyl)malic acid

2-(3-methylthiopropyl)malic acid

C8H14O5S (222.0562)


   

Xanthosine 5-(trihydrogen diphosphate)

Xanthosine 5-(trihydrogen diphosphate)

C10H14N4O12P2 (444.0083)


   

Sarmentosin

Sarmentosin

C11H17NO7 (275.1005)


   

Deoxy-5-methylcytidylic acid

Deoxy-5-methylcytidylic acid

C10H16N3O7P (321.0726)


   

Fernenol

Fernenol

C30H50O (426.3861)


   

Cellobiono-1,5-lactone

Cellobiono-1,5-lactone

C12H20O11 (340.1006)


   

Calystegin b2

Calystegin b2

C7H13NO4 (175.0845)


   

CID 441725

CID 441725

C24H39NO7 (453.2726)


   

CID 5281368

CID 5281368

C37H42O10 (646.2778)


   

(Z)-5-oxohex-2-enedioic acid

(Z)-5-oxohex-2-enedioic acid

C6H6O5 (158.0215)


   

8(R)-HPETE

8(R)-HPETE

C20H32O4 (336.23)


The (R)-enantiomer of 8-HPETE.

   

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

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

C12H10O3S (234.0351)


   

2-Amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine

6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one

C9H11N5O2 (221.0913)


A member of the class of pyrimidodiazepine 3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one bearing amino and acetyl substituents at positions 2 and 6 respectively.

   

Anthorine

Anthorine

C22H33NO2 (343.2511)


   

N-(2,4-diamino-6-hydroxypyrimidin-5-yl)-N-methylformamide

N-(2,4-diamino-6-hydroxypyrimidin-5-yl)-N-methylformamide

C6H9N5O2 (183.0756)


   

(2S,4R,5S)-tetrahydropyran-2,4,5-triol

(2S,4R,5S)-tetrahydropyran-2,4,5-triol

C5H10O4 (134.0579)


   

Calystegin A3

Calystegin A3

C7H13NO3 (159.0895)


   

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)


   

(+)-galbacin

(+)-galbacin

C20H20O5 (340.1311)


   

CID 5281366

CID 5281366

C36H36O10 (628.2308)


   

CID 21160714

CID 21160714

C21H24N2O3 (352.1787)


   

2-Phospho-5-adenylyl sulfate

2-Phospho-5-adenylyl sulfate

C10H15N5O13P2S (506.9862)


   

cis-trans-Iridodial

cis-trans-Iridodial

C10H16O2 (168.115)


   

(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)


   

e-Tokoferol

(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol

C28H42O2 (410.3185)


A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat.

   

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

   

13,14-dihydroretinol

all-trans-13,14-dihydroretinol

C20H32O (288.2453)


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

   

4-Hydroxylamino-2,6-dinitrotoluene

4-Hydroxylamino-2,6-dinitrotoluene

C7H7N3O5 (213.0386)


A member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4.

   

8R-HpODE

(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid

C18H32O4 (312.23)


The 8(R)-isomer of HPODE.

   

Taurohyocholate

N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)-taurine

C26H45NO7S (515.2917)


   

(1R)-bornane-2,5-dione

(1R)-bornane-2,5-dione

C10H14O2 (166.0994)


   

7-Methylxanthosine

7-Methylxanthosine

C11H15N4O6+ (299.0992)


   

Dimethyl adipate

Dimethyl hexanedioate

C8H14O4 (174.0892)


   

PHENTHOATE

PHENTHOATE

C12H17O4PS2 (320.0306)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

   

4-Undecanolide

Gamma-undecalactone

C11H20O2 (184.1463)


   

Isopropyl adipate

DIISOPROPYL ADIPATE

C12H22O4 (230.1518)


   

4-Butylphenol

p-Hydroxybutylbenzene

C10H14O (150.1045)


   

5,6-Epoxyretinoic acid

(2E,4E,6E,8E)-3,7-dimethyl-9-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}nona-2,4,6,8-tetraenoic acid

C20H28O3 (316.2038)


A retinoid obtained by epoxidation across the 5,6-double bond of retinoic acid. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

Dibenzylmethane

1,3-Diphenylpropane

C15H16 (196.1252)


   

16(R)-HETE

16(R)-HETE

C20H32O3 (320.2351)


A 16-HETE in which the chiral centre at position 16 has R-configuration.

   

1-NAPHTHYLHYDROXYLAMINE

N-Hydroxy-1-aminonaphthalene

C10H9NO (159.0684)


   

11H-14,15-EETA

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

C20H32O4 (336.23)


   

11,14,15-THETA

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

C20H34O5 (354.2406)


   

Desdimethyltamoxifen

N,N-Didesmethyltamoxifen

C24H25NO (343.1936)


   

6alpha-Hydroxymaackiain

6alpha-Hydroxymaackiain

C16H12O6 (300.0634)


   

Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-

Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-

C20H28N2O5S (408.1719)


D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

Bromobenzene-3,4-oxide

Bromobenzene-3,4-epoxide

C6H5BrO (171.9524)


   

6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole

6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole

C16H17N3OS (299.1092)


   

6-Thioinosine-5-triphosphate

6-Mercaptopurine ribonucleoside triphosphate

C10H15N4O13P3S (523.9569)


   

Talactoferrin Alfa

Talactoferrin Alfa

C19H26Cl2N2O (368.1422)


D000970 - Antineoplastic Agents

   

2-Amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-1,5,6,7-tetrahydropteridin-4-one

2-Amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-1,5,6,7-tetrahydropteridin-4-one

C9H15N5O4 (257.1124)


   

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)


   

5-Formiminotetrahydrofolate

5-Formiminotetrahydrofolate

C20H24N8O6 (472.1819)


   

Supinidine

Supinidine

C8H13NO (139.0997)


   

3-Keto-vpa

2-N-Propyl-3-oxopentanoic acid

C8H14O3 (158.0943)


   

Thiobenzamide S-oxide

Thiobenzamide S-oxide

C7H7NOS (153.0248)


   

1-Nitrosonaphthalene

1-Nitrosonaphthalene

C10H7NO (157.0528)


   

11alpha-hydroxyprogesterone

Pregn-4-ene-3,20-dione,11-hydroxy-, (11α)-

C21H30O3 (330.2195)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins

   

hepoxilin B3

(5Z,8Z,14Z)-(11S,12S)-11,12-Epoxy-10-hydroxyeicosa-5,8,14-trienoic acid

C20H32O4 (336.23)


A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, a 10-hydroxy substituent and an (11S,12S)-epoxy group.

   

N-acetylphosphinothricin

N-acetylphosphinothricin

C7H14NO5P (223.061)


   

1,2-Dimyristoyl-rac-glycerol

1,2-Dimyristoyl-rac-glycerol

C31H60O5 (512.4441)