Subcellular Location: extracellular region

Found 500 associated metabolites.

2170 associated genes.

A1BG, A2M, A2ML1, AADACL2, ABCC6, ABHD15, ABHD18, ABI3BP, ABO, ACAA1, ACAN, ACE, ACE2, ACHE, ACLY, ACP7, ACR, ACRBP, ACTN1, ACTN2, ACTN4, ACTR10, ACTR1B, ACTR2, ADA2, ADAM12, ADAM23, ADAM28, ADAMDEC1, ADAMTS1, ADAMTS10, ADAMTS12, ADAMTS13, ADAMTS14, ADAMTS16, ADAMTS17, ADAMTS18, ADAMTS19, ADAMTS2, ADAMTS20, ADAMTS3, ADAMTS4, ADAMTS5, ADAMTS6, ADAMTS7, ADAMTS8, ADAMTS9, ADAMTSL1, ADAMTSL2, ADAMTSL3, ADAMTSL4, ADAMTSL5, ADCY10, ADCYAP1, ADGRB2, ADGRE3, ADGRE4P, ADGRF1, ADGRG1, ADIG, ADIPOQ, ADM, ADM2, ADM5, ADPGK, AEBP1, AFM, AGA, AGER, AGGF1, AGL, AGR2, AGRN, AGT, AHSG, AKR1B10, ALAD, ALB, ALDOA, ALDOC, ALKAL1, ALKAL2, ALOX5, ALPG, ALPI, ALPL, AMBN, AMBP, AMELX, AMELY, AMH, AMPD3, AMTN, AMY2A, ANG, ANGPT1, ANGPT2, ANGPT4, ANGPTL3, ANGPTL4, ANGPTL7, ANGPTL8, ANKH, ANOS1, ANTXR2, ANXA1, ANXA2, ANXA5, AOAH, AOC1, APAF1, APC2, APCS, APEH, APELA, APLN, APOA1, APOA2, APOA4, APOA5, APOB, APOC1, APOC2, APOC3, APOC4, APOD, APOE, APOH, APOL1, APOL2, APOL3, APOL4, APOL5, APOL6, APOLD1, APOM, APOO, APOOL, APP, APRT, AQP4, AREG, ARG1, ARHGAP45, ARHGAP9, ARMC8, ARPC5, ARSA, ARSB, ARSI, ARSJ, ARSK, ART3, ART4, ART5, ARTN, ASAH1, ASAH2, ASGR1, ASPN, ATG7, AVP, AZGP1, AZU1, B2M, B3GAT1, B4GALT4, BAG6, BAGE, BAGE2, BAGE3, BAGE4, BAGE5, BCAM, BCAN, BCHE, BDNF, BGLAP, BGN, BIN2, BMP1, BMP10, BMP15, BMP2, BMP3, BMP4, BMP5, BMP6, BMP7, BMP8A, BMPER, BPI, BPIFA1, BPIFA2, BPIFA3, BPIFA4P, BPIFB1, BPIFB2, BPIFB3, BPIFB4, BPIFB6, BRINP2, BRINP3, BRPF3, BSPH1, BST1, BTBD17, BTC, BTD, C14orf93, C15orf61, C17orf67, C18orf54, C1orf35, C1orf54, C1orf56, C1QA, C1QB, C1QBP, C1QC, C1QTNF1, C1QTNF12, C1QTNF2, C1QTNF3-AMACR, C1QTNF7, C1QTNF8, C1QTNF9, C1QTNF9B, C1R, C1S, C2, C2orf66, C3, C4A, C4B, C4B_2, C4BPA, C4BPB, C5, C6, C6orf120, C6orf15, C7, C8A, C8B, C8G, C9, CA11, CA6, CAB39, CABP4, CABYR, CALCA, CALCB, CALM1, CALML5, CALR, CALU, CAMP, CAND1, CANT1, CAP1, CAPN1, CAPZA1, CAPZA2, CASK, CASP4, CAT, CBLIF, CBLN1, CBLN4, CCDC103, CCDC126, CCDC134, CCDC3, CCDC39, CCDC40, CCDC80, CCDC88C, CCER2, CCK, CCL1, CCL11, CCL13, CCL16, CCL17, CCL19, CCL2, CCL20, CCL21, CCL22, CCL23, CCL25, CCL27, CCL28, CCL3, CCL3L1, CCL3L3, CCL4, CCL5, CCL7, CCN2, CCN3, CCN6, CCT2, CCT8, CD109, CD14, CD160, CD163, CD163L1, CD164, CD2, CD200R1, CD209, CD27, CD300H, CD300LD-AS1, CD34, CD44, CD52, CD55, CD5L, CD6, CD63, CD74, CD8A, CD8B, CD9, CD99L2, CDA, CDC37L1, CDCP1, CDH1, CDH11, CDH13, CDK13, CDSN, CEACAM5, CEACAM7, CECR9, CEL, CELA2A, CELA2B, CELF2-AS1, CEMIP, CENPS-CORT, CEP290, CER1, CES1P1, CES4A, CES5A, CETP, CFAP221, CFAP43, CFAP45, CFAP53, CFAP54, CFB, CFC1, CFC1B, CFD, CFH, CFHR1, CFHR2, CFHR4, CFHR5, CFI, CFP, CGA, CGB1, CGB2, CGB3, CGB5, CGB8, CGREF1, CHGA, CHGB, CHI3L1, CHI3L2, CHIA, CHID1, CHIT1, CHRD, CHRDL1, CHST9, CHSY1, CILP2, CKLF, CLC, CLCA1, CLCA2, CLCA4, CLCF1, CLEC11A, CLEC19A, CLEC3B, CLEC4M, CLPS, CLPSL1, CLPSL2, CLSTN1, CLU, CLUL1, CMA1, CNDP1, CNMD, CNN2, CNPY4, CNTF, CNTN3, CNTN4, CNTN5, CNTNAP3, COCH, COL10A1, COL11A1, COL11A2, COL12A1, COL13A1, COL14A1, COL15A1, COL16A1, COL17A1, COL18A1, COL19A1, COL1A1, COL1A2, COL20A1, COL21A1, COL22A1, COL24A1, COL25A1, COL26A1, COL27A1, COL28A1, COL2A1, COL3A1, COL4A1, COL4A2, COL4A3, COL4A4, COL4A5, COL4A6, COL5A1, COL5A2, COL5A3, COL6A1, COL6A2, COL6A3, COL6A5, COL6A6, COL7A1, COL8A1, COL8A2, COL9A1, COL9A2, COL9A3, COLEC10, COLEC11, COMMD3, COMMD9, COMP, CORIN, CORT, COTL1, CP, CPA2, CPA3, CPAMD8, CPB2, CPM, CPN1, CPN2, CPPED1, CPXM2, CR2, CRACR2A, CRB1, CREG1, CRH, CRHBP, CRIM1, CRIPTO, CRIPTO3, CRISP1, CRISP3, CRISPLD1, CRISPLD2, CRLF1, CRLF2, CRP, CRY2, CSF1, CSF2, CSF2RA, CSF3, CSF3R, CSH1, CSH2, CSHL1, CSN1S1, CSN2, CSN3, CSNK2B, CSPG4, CSPG5, CST11, CST3, CST5, CST6, CST8, CSTB, CSTL1, CSTP1, CTF1, CTHRC1, CTRB1, CTRB2, CTSA, CTSB, CTSC, CTSD, CTSG, CTSH, CTSK, CTSL, CTSO, CTSS, CTSV, CTSW, CTSZ, CWH43, CX3CL1, CXADR, CXCL1, CXCL10, CXCL11, CXCL12, CXCL13, CXCL16, CXCL2, CXCL3, CXCL5, CXCL6, CXCL8, CXCL9, CYB5D2, CYB5R3, CYFIP1, CYRIB, DAG1, DAND5, DAO, DAW1, DBH, DBNL, DCD, DCN, DDX3X, DEAF1, DEF6, DEFA1, DEFA1B, DEFA3, DEFA4, DEFA5, DEFA6, DEFB1, DEFB103A, DEFB103B, DEFB104A, DEFB104B, DEFB105A, DEFB105B, DEFB107A, DEFB107B, DEFB108A, DEFB108B, DEFB108C, DEFB109B, DEFB109D, DEFB112, DEFB113, DEFB115, DEFB116, DEFB117, DEFB118, DEFB119, DEFB121, DEFB123, DEFB124, DEFB125, DEFB126, DEFB127, DEFB128, DEFB129, DEFB134, DEFB135, DEFB136, DEFB4A, DEFB4B, DERA, DHRS11, DHRS13, DHRS4L2, DHRSX, DIPK2A, DIPK2B, DKK1, DKK2, DKK3, DLL1, DMBT1, DMKN, DMP1, DNAAF1, DNAAF11, DNAAF2, DNAAF4, DNAH1, DNAH11, DNAH5, DNAH9, DNAI1, DNAJC3, DNASE1, DNASE1L1, DNASE1L2, DNASE1L3, DNASE2B, DOCK2, DOK1, DPCD, DPP4, DPP7, DRAXIN, DSC3, DSCAM, DSN1, DSPP, DYNC1H1, DYNLT1, EBI3, ECM1, ECM2, ECRG4, EDA, EDDM13, EDDM3B, EDN1, EDN2, EDN3, EEF1A1, EEF2, EFEMP1, EFEMP2, EFNA1, EFNA4, EGF, EGFL7, EGFL8, ELANE, ELN, ELSPBP1, EMC10, EMCN, EMID1, EMILIN1, EMILIN2, EMILIN3, ENAM, ENDOD1, ENDOU, ENHO, ENOX1, ENOX2, ENPP2, ENPP5, ENPP6, ENTPD5, ENTPD6, EPDR1, EPGN, EPHA10, EPHA3, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, EPO, EPOR, EPPIN, EPPIN-WFDC6, EPX, EPYC, ERAP1, ERBB2, ERBB4, EREG, ERFE, ERP44, ERVMER34-1, ESM1, EXOC3-AS1, EXTL2, F10, F11, F12, F13A1, F13B, F2, F2R, F2RL2, F2RL3, F5, F7, F8, F9, FABP5, FAF2, FAM174C, FAM180A, FAM180B, FAM237A, FAM237B, FAM24A, FAM24B, FAM3A, FAM3B, FAM3C, FAM3D, FASLG, FBLN1, FBLN2, FBLN5, FBN1, FBN2, FBN3, FBXO45, FCAR, FCGR3B, FCMR, FCN1, FCN2, FCN3, FDCSP, FERMT3, FETUB, FGA, FGB, FGF1, FGF10, FGF16, FGF17, FGF18, FGF19, FGF2, FGF20, FGF21, FGF22, FGF23, FGF3, FGF4, FGF5, FGF6, FGF7, FGF8, FGF9, FGFBP1, FGFBP2, FGFBP3, FGFR1, FGFR2, FGFR3, FGFR4, FGG, FGL1, FGL2, FGR, FIBIN, FKBPL, FLG, FLG2, FLNA, FLRT2, FLT3LG, FLT4, FMOD, FN1, FNDC1, FNDC5, FNDC7, FOLR2, FOLR3, FREM1, FRK, FRZB, FSHB, FST, FSTL1, FSTL3, FSTL4, FSTL5, FTH1, FTL, FUCA1, FUCA2, FURIN, FUT6, GAA, GAL, GALNS, GALNT1, GALNT2, GALP, GAS6, GAS8, GASK1A, GAST, GATD1, GBP1, GC, GCA, GCG, GDF11, GDF15, GDF2, GDF5, GDF6, GDF7, GDF9, GDI2, GDNF, GFOD1, GFOD2, GFRA4, GGH, GH1, GH2, GHDC, GHR, GHRH, GHRL, GIP, GKN1, GLA, GLB1, GLB1L, GLB1L2, GLIPR2, GLT1D1, GM2A, GMFG, GNAS, GNLY, GNRH1, GNRH2, GNS, GOLGA7, GP2, GPC1, GPC2, GPC5, GPC6, GPHA2, GPHB5, GPI, GPIHBP1, GPLD1, GPR15LG, GPX3, GPX5, GPX6, GPX7, GREM1, GREM2, GRN, GRP, GSDMD, GSN, GSTP1, GTPBP2, GUCA2A, GUCA2B, GUSB, GYG1, GZMB, GZMK, GZMM, H3-3A, H3-3B, 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, HABP2, HABP4, HAMP, HAPLN1, HBA2, HBB, HBEGF, HBP1, HCG22, HCRT, HDGF, HDGFL3, HEBP1, HEBP2, HEG1, HEXB, HGF, HGFAC, HHIP, HHIPL1, HHIPL2, HHLA1, HK3, HMCN2, HMGB1, HMGB2, HNRNPC, HP, HPR, HPSE, HPX, HRG, HRNR, HSD11B1L, HSP90AA1, HSP90AB1, HSP90B1, HSPA1A, HSPA1B, HSPA6, HSPA8, HSPB6, HSPG2, HSPH1, HTN1, HTN3, HTRA1, HTRA3, HTRA4, HUWE1, HYAL1, HYAL3, HYOU1, IAPP, IBSP, ICAM4, ICOS, IDH1, IFI30, IFNA10, IFNA13, IFNA14, IFNA16, IFNA17, IFNA2, IFNA21, IFNA4, IFNA5, IFNA6, IFNA7, IFNA8, IFNAR2, IFNB1, IFNG, IFNK, IFNL1, IFNL2, IFNL3, IFNL4, IGF1, IGF2, IGFALS, IGFBP1, IGFBP2, IGFBP3, IGFBP4, IGFBP5, IGFBP6, IGFBP7, IGFBPL1, IGFL2, IGH, IGHA1, IGHA2, IGHD1-1, IGHE, IGHEP1, IGHEP2, IGHG1, IGHG2, IGHG3, IGHG4, IGHJ1, IGHM, IGHV1-18, IGHV1-2, IGHV1-24, IGHV1-3, IGHV1-38-4, IGHV1-45, IGHV1-46, IGHV1-58, IGHV1-69, IGHV1-69-2, IGHV1-69D, IGHV1-8, IGHV1OR15-1, IGHV1OR15-9, IGHV1OR21-1, IGHV2-26, IGHV2-5, IGHV2-70, IGHV2-70D, IGHV2OR16-5, IGHV3-11, IGHV3-13, IGHV3-15, IGHV3-16, IGHV3-20, IGHV3-21, IGHV3-23, IGHV3-30, IGHV3-30-3, IGHV3-30-5, IGHV3-33, IGHV3-35, IGHV3-38, IGHV3-38-3, IGHV3-43, IGHV3-43D, IGHV3-48, IGHV3-49, IGHV3-53, IGHV3-64, IGHV3-64D, IGHV3-66, IGHV3-7, IGHV3-72, IGHV3-73, IGHV3-74, IGHV3-9, IGHV3OR15-7, IGHV3OR16-10, IGHV3OR16-12, IGHV3OR16-13, IGHV3OR16-17, IGHV3OR16-8, IGHV3OR16-9, IGHV4-28, IGHV4-30-2, IGHV4-30-4, IGHV4-31, IGHV4-34, IGHV4-38-2, IGHV4-39, IGHV4-4, IGHV4-59, IGHV4-61, IGHV4OR15-8, IGHV5-10-1, IGHV5-51, IGHV6-1, IGHV7-4-1, IGHV7-81, IGHV8-51-1, IGIP, IGKC, IGKJ1, IGKV1-12, IGKV1-16, IGKV1-17, IGKV1-33, IGKV1-39, IGKV1-5, IGKV1D-12, IGKV1D-16, IGKV1D-33, IGKV1D-39, IGKV1D-8, IGKV2-28, IGKV2-29, IGKV2-30, IGKV2-40, IGKV2D-28, IGKV2D-30, IGKV2D-40, IGKV3-11, IGKV3-15, IGKV3-20, IGKV3D-20, IGKV4-1, IGKV5-2, IGLC1, IGLC2, IGLC3, IGLC6, IGLC7, IGLJ1, IGLL1, IGLL5, IGLON5, IGLV1-40, IGLV1-44, IGLV1-47, IGLV1-51, IGLV2-11, IGLV2-14, IGLV2-23, IGLV2-8, IGLV3-1, IGLV3-19, IGLV3-21, IGLV3-25, IGLV3-27, IGLV5-45, IGLV6-57, IGLV7-43, IGSF1, IGSF10, IHH, IL10, IL11, IL11RA, IL12A, IL12B, IL13, IL13RA2, IL15, IL15RA, IL16, IL17A, IL17C, IL17F, IL17RA, IL17RB, IL17RE, IL17REL, IL18, IL18BP, IL19, IL1A, IL1B, IL1F10, IL1R1, IL1R2, IL1RAP, IL1RL1, IL2, IL20, IL21, IL22, IL22RA2, IL23A, IL24, IL25, IL26, IL27, IL3, IL31, IL33, IL34, IL36A, IL36B, IL36G, IL36RN, IL37, IL4, IL4I1, IL4R, IL5, IL6, IL6R, IL6ST, IL7, IL7R, IL9, ILF2, ILF3, IMPDH1, IMPDH2, IMPG1, IMPG2, INHA, INHBA, INHBB, INHBC, INS, INSL3, INSL5, INSL6, IRX2-DT, ISG15, ISLR, ISM1, ISM2, IST1, ITGBL1, ITIH1, ITIH2, ITIH3, ITIH4, ITIH5, ITIH6, ITLN1, ITM2B, IZUMO1R, IZUMO4, JAG1, JCHAIN, JHY, JUP, KCMF1, KCNJ5-AS1, KCP, KDR, KERA, KIF27, KIR3DX1, KIRREL3, KISS1, KITLG, KL, KLK10, KLK12, KLK13, KLK14, KLK15, KLK2, KLK3, KLK4, KLK5, KLK6, KLK7, KLK8, KLK9, KLKB1, KNG1, KPNB1, KRT1, KRT10, LACRT, LAD1, LAG3, LAIR2, LAMA1, LAMA2, LAMA3, LAMA4, LAMA5, LAMB1, LAMB2, LAMB3, LAMB4, LAMC1, LAMC2, LAMC3, LBP, LCAT, LCN1, LCN10, LCN12, LCN15, LCN2, LCN6, LCN8, LCN9, LEAP2, LEFTY1, LEFTY2, LEP, LEPR, LFNG, LGALS1, LGALS3, LGALS3BP, LGI1, LGI2, LGI3, LGI4, LGMN, LHB, LIF, LILRA2, LILRA3, LILRA5, LILRB1, LINC00305, LINC03122, LIPC, LIPF, LIPG, LIPH, LIPI, LIPK, LIPM, LIPN, LLCFC1, LOC102724971, LOX, LOXL1, LOXL3, LPA, LPAL2, LPL, LPO, LRCOL1, LRG1, LRP6, LRPAP1, LRRC32, LRRC7, LSAMP, LTA4H, LTBP1, LTBP2, LTBP3, LTBP4, LTF, LUM, LUZP2, LY6D, LY6E, LY6G5B, LY6G5C, LY6G6C, LY6G6D, LY6H, LY6K, LY86, LY96, LYG1, LYG2, LYPD1, LYPD2, LYPD3, LYPD4, LYPD5, LYPD6, LYPD6B, LYPD8, LYZ, LYZL1, LYZL2, LYZL6, MAGED2, MAL, MAMDC2, MAN2B1, MANF, MAP2K2, MAPK1, MAPK14, MAPK15, MAPT, MASP1, MASP2, MATN1, MATN2, MATN3, MATN4, MBL2, MBP, MCAM, MDFIC, MDGA1, MDGA2, MDK, MEGF6, MELTF, MEP1B, MEPE, MET, METRN, METRNL, METTL24, MFAP2, MFAP3, MFAP4, MFAP5, MFGE8, MGAM, MGAT5, MIF, MLN, MMP1, MMP10, MMP11, MMP12, MMP13, MMP19, MMP2, MMP20, MMP21, MMP3, MMP7, MMP8, MMP9, MMRN1, MNDA, MPEG1, MPO, MSLN, MSMB, MST1, MT-RNR2, MTRNR2L1, MTRNR2L10, MTRNR2L11, MTRNR2L12, MTRNR2L13, MTRNR2L2, MTRNR2L3, MTRNR2L4, MTRNR2L5, MTRNR2L6, MTRNR2L7, MTRNR2L8, MTRNR2L9, MUC15, MUC17, MUC19, MUC2, MUC20, MUC3A, MUC5AC, MUCL1, MUSTN1, MVP, MXRA5, MYOC, MZB1, NAPRT, NAXE, NBL1, NCAM1, NCAN, NDFIP1, NDNF, NECTIN1, NEGR1, NEK10, NELL2, NETO1, NEU1, NFKB1, NGF, NGFR, NGRN, NHLRC2, NHLRC3, NID1, NID2, NINJ1, NIT2, NLN, NLRP3, NMB, NME2, NME5, NMS, NMU, NODAL, NOG, NOTCH1, NOTCH2, NOTCH2NLA, NOTCH2NLB, NOTCH2NLC, NOTCH3, NOTCH4, NOTUM, NPB, NPC1, NPC2, NPFF, NPHP3, NPIPB15, NPIPB7, NPNT, NPPA, NPPB, NPPC, NPS, NPTX1, NPTX2, NPVF, NPW, NPY, NRCAM, NRG1, NRG2, NRG3, NRG4, NRN1, NRN1L, NRP2, NRROS, NRTN, NTF3, NTF4, NTM, NTN1, NTN3, NTN4, NTN5, NTNG1, NTNG2, NTS, NTT, NUCB1, NXPE1, NXPE3, NXPH2, NXPH3, NXPH4, OAS1, OBP2A, OC90, ODAD3, ODAD4, ODAM, ODAPH, OFD1, OGN, OLA1, OLFM1, OLFM2, OLFM3, OLFM4, OLR1, OMD, OOSP1, OOSP2, OOSP3, OOSP4A, OOSP4B, OPCML, OPRPN, OPTC, ORM1, ORM2, OSCAR, OSM, OSTF1, OTOA, OTOL1, OTOR, OTOS, OVCH1, OVCH2, OVGP1, OVOS2, OXT, P4HB, PA2G4, PADI2, PAEP, PAFAH1B2, PAM, PAMR1, PAPLN, PAPPA, PAPPA2, PATE1, PATE3, PCDH15, PCDHA1, PCDHA10, PCDHA6, PCOLCE, PCOLCE2, PCSK5, PCSK6, PCSK9, PCYOX1L, PDAP1, PDCD1LG2, PDF, PDGFA, PDGFB, PDGFC, PDGFD, PDGFRL, PDXK, PDYN, PDZD11, PDZD2, PENK, PF4, PFKL, PGAM1, PGC, PGF, PGLYRP1, PGLYRP2, PGLYRP3, PGLYRP4, PGM1, PGM2, PGRMC1, PGRMC2, PI3, PINLYP, PIP, PKD1L1-AS1, PKDCC, PKM, PLA1A, PLA2G10, PLA2G12A, PLA2G12B, PLA2G15, PLA2G1B, PLA2G2A, PLA2G2C, PLA2G2D, PLA2G2E, PLA2G2F, PLA2G3, PLA2G4B, PLA2G5, PLA2G7, PLA2R1, PLAC1, PLAC8, PLAC9, PLAT, PLAU, PLAUR, PLBD1, PLBD2, PLEK, PLEKHO2, PLET1, PLG, PLGLA, PLGLB1, PLGLB2, PLIN2, PLTP, PLXDC1, PLXNB1, PM20D1, PMCH, PMCHL1, PNLIP, PNLIPRP1, PNLIPRP2, PNLIPRP3, PNOC, PNP, PODN, POMC, PON1, PON2, PON3, POTEKP, PPBP, PPIA, PPIE, PPOX, PPT1, PPY, PRADC1, PRAP1, PRB1, PRB2, PRB3, PRB4, PRCD, PRDX4, PRDX6, PRELP, PRF1, PRG1, PRG2, PRG3, PRG4, PRH1, PRKCD, PRL, PRLH, PRLR, PRND, PRNT, PROC, PROCR, PROK1, PROK2, PROS1, PROZ, PRRG1, PRRG2, PRRG3, PRRG4, PRSS1, PRSS2, PRSS21, PRSS27, PRSS3, PRSS35, PRSS36, PRSS37, PRSS38, PRSS41, PRSS51, PRSS53, PRSS58, PRSS8, PRTN3, PRXL2A, PSAP, PSAPL1, PSCA, PSG1, PSG11, PSG2, PSG3, PSG4, PSG5, PSG6, PSG7, PSG8, PSG9, PSMA2, PSMA5, PSMB1, PSMB7, PSMC2, PSMC3, PSMD1, PSMD11, PSMD12, PSMD13, PSMD14, PSMD2, PSMD3, PSMD6, PSMD7, PSORS1C2, PSPN, PTEN, PTGDS, PTGES2, PTGFR, PTH, PTH2, PTHLH, PTN, PTPN6, PTPRZ1, PTPRZ2, PTX3, PTX4, PXDN, PYCARD, PYGB, PYGL, PYY, PYY2, PZP, QPCT, QRFP, QSOX1, RAB27A, RAC1, RAET1G, RAET1L, RARRES2, RBP3, RBP4, RECK, REG3A, REG3G, REG4, RELN, REN, RETN, RFNG, RFX3, RIF1, RLF, RLN1, RLN2, RLN3, RNASE1, RNASE10, RNASE11, RNASE12, RNASE13, RNASE2, RNASE3, RNASE4, RNASE6, RNASE7, RNASE9, RNASET2, RNLS, RNPEP, ROCK1, ROPN1L, RPTN, RSPH4A, RSPO1, RSPO2, RSPO3, RSPO4, RSPRY1, RTBDN, RTN4RL1, RTN4RL2, S100A1, S100A10, S100A11, S100A12, S100A13, S100A4, S100A6, S100A7, S100A8, S100A9, S100B, S100P, SAA1, SAA4, SBSPON, SCCPDH, SCFV, SCG2, SCG3, SCG5, SCGB1A1, SCGB1C1, SCGB1C2, SCGB2A2, SCGB2B2, SCGB3A2, SCGN, SCN1B, SCPPPQ1, SCT, SCUBE2, SDCBP, SELENOP, SELP, SEMA3A, SEMA3B, SEMA3E, SEMG1, SEMG2, SERPINA1, SERPINA3, SERPINA4, SERPINA5, SERPINA6, SERPINA7, SERPINB1, SERPINB2, SERPINB3, SERPINB6, SERPINC1, SERPIND1, SERPINE1, SERPINE2, SERPINF1, SERPINF2, SERPING1, SFRP1, SFRP4, SFTA2, SFTA3, SFTPA1, SFTPA2, SFTPB, SFTPC, SFTPD, SHBG, SHH, SIGLEC1, SIGLEC10, SIGLEC6, SIRPD, SLIT1, SLIT2, SLITRK1, SLPI, SLURP1, SMIM20, SMPD1, SMPD3, SMR3A, SNCA, SNED1, SNORC, SOD1, SOD3, SOST, SP1, SPA17, SPACA3, SPACA4, SPACA5, SPACA5B, SPACA7, SPAG11A, SPAG11B, SPAG16, SPAG17, SPAG6, SPARC, SPARCL1, SPATA20, SPATA6, SPEF2, SPINK13, SPINK14, SPINK2, SPINK4, SPINK5, SPINK6, SPINK7, SPINK8, SPINK9, SPINT1, SPINT2, SPINT3, SPINT4, SPN, SPOCK2, SPOCK3, SPP1, SPP2, SPRN, SPRR2A, SPTAN1, SPX, SRGN, SRP14, SSBP3-AS1, SSC4D, SST, ST3GAL2, ST3GAL3, ST3GAL4, ST6GAL1, ST8SIA2, ST8SIA4, STATH, STK11IP, STK36, STRCP1, STX1A, STXBP2, SULF2, SUSD4, SVBP, SVEP1, TAC1, TAC3, TAGLN2, TBC1D15, TCN1, TCN2, TECTA, TECTB, TEK, TENM1, TEP1, TEX101, TEX264, TF, TFF1, TFF3, TFPI, TFPI2, TFRC, TG, TGFA, TGFB1, TGFB2, TGFB3, TGFBI, TGFBR2, TGFBR3, THBS1, THBS2, THBS3, THBS4, THEM6, THPO, THSD1, THSD7A, THY1, TIMD4, TIMP1, TIMP2, TIMP3, TINAGL1, TLL1, TLL2, TLN1, TLR9, TMEFF2, TMEM119, TMEM25, TMEM98, TMPRSS11A, TMPRSS11D, TMPRSS11E, TMPRSS11F, TMPRSS2, TMSB4X, TMT1A, TMX1, TNC, TNF, TNFAIP6, TNFRSF11B, TNFRSF18, TNFRSF1A, TNFRSF1B, TNFRSF25, TNFRSF6B, TNFSF10, TNFSF11, TNFSF12, TNFSF12-TNFSF13, TNFSF13, TNFSF13B, TNR, TNXB, TOLLIP, TOR2A, TOR4A, TPSAB1, TRAPPC1, TREM1, TREM2, TREML4, TRH, TSHB, TSHZ2, TSLP, TSPEAR, TTLL1, TTN, TTR, TUB, TUBA4A, TUBB, TUBB4B, TUFT1, TULP1, TULP2, TULP3, TWSG1, TXLNA, TXN, TXNDC5, UACA, UCMA, UCN, UCN2, UCN3, ULBP2, UNC13D, USH2A, UTS2, UTS2B, VANGL1, VASH2, VAT1, VCAN, VCL, VCP, VEGFA, VEGFB, VEGFC, VEGFD, VIP, VIT, VNN1, VNN2, VPREB1, VPREB3, VSTM2A, VSTM2L, VSTM4, VTI1B, VTN, VWA3A, VWA5B1, VWA7, VWC2L, VWCE, VWDE, VWF, WDR1, WFDC2, WFDC3, WFDC6, WFDC8, WFIKKN2, WIF1, WNT1, WNT10A, WNT10B, WNT11, WNT16, WNT2, WNT2B, WNT3, WNT3A, WNT4, WNT5A, WNT5B, WNT6, WNT7A, WNT7B, WNT8A, WNT8B, WNT9A, WNT9B, XCL1, XCL2, XPNPEP2, XRCC5, XRCC6, XYLT2, YBX1, YPEL5, ZG16B, ZNF22-AS1, ZNF653, ZP1, ZP2, ZP3, ZP4, ZPBP, ZPBP2

OnjisaponinF

Polygalasaponin XXXI;Onjisaponin F

C75H112O36 (1588.6933)

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

Picrotin

3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1a alpha,2a beta,3beta,6beta,6a beta,8aS*,8b beta,9S*))-

C15H18O7 (310.1052)

Picrotin is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has a role as a plant metabolite. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone, a diol and a picrotoxane sesquiterpenoid. It is functionally related to a picrotoxinin. Picrotin is a natural product found in Dendrobium moniliforme and Anamirta cocculus with data available. Picrotin belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Picrotin is soluble (in water) and a very weakly acidic compound (based on its pKa). C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2].

(-)-Pinoresinol

4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol

C20H22O6 (358.1416)

(-)-pinoresinol is an enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration. It has a role as a plant metabolite. (-)-Pinoresinol is a natural product found in Dendrobium loddigesii, Forsythia suspensa, and other organisms with data available. An enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration.

Dihydrovaltrate

Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2-oxiran)-1-yl ester, (1S-(1-alpha,4a-alpha,6-alpha,7-beta,7a-alpha))-

C22H32O8 (424.2097)

Didrovaltratum is an iridoid monoterpenoid. Didrovaltrate is a natural product found in Valeriana pulchella, Fedia cornucopiae, and other organisms with data available. See also: Viburnum opulus bark (has part). Isolated from Valeriana subspecies Dihydrovaltrate is found in tea, fats and oils, and herbs and spices. Dihydrovaltrate is found in fats and oils. Dihydrovaltrate is isolated from Valeriana specie C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

Platycodin A

Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-D-apio-beta-D-furanosyl-(1-->3)-O-beta-D-xylopyranosyl-(1-->4)-O-2-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-alpha-L-arabinopyranosyl ester, (2beta,3beta,16alpha)-

C59H94O29 (1266.588)

2O-acetylplatycodin D is a triterpenoid saponin. It has a role as a metabolite. 2O-acetylplatycodin D is a natural product found in Platycodon grandiflorus with data available. A natural product found in Platycodon grandiflorum.

gamma-Cadinene

Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1alpha,4abeta,8aalpha)-

C15H24 (204.1878)

(-)-gamma-cadinene is a member of the cadinene family of sesquiterpenes in which the isopropyl group is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,4aS,8aS enantiomer). It has a role as a metabolite. It is a cadinene, a member of octahydronaphthalenes and a gamma-cadinene. It is an enantiomer of a (+)-gamma-cadinene. (-)-gamma-Cadinene is a natural product found in Xylopia sericea, Chromolaena odorata, and other organisms with data available. A member of the cadinene family of sesquiterpenes in which the isopropyl group is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,4aS,8aS enantiomer). gamma-Cadinene is found in allspice. gamma-Cadinene is a constituent of citronella oil.

RESORCINOL MONOACETATE

1,3-Benzenediol, monoacetic acid

C8H8O3 (152.0473)

C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent Same as: D02393

semeron

Desmetryn

C8H15N5S (213.1048)

3,5-Dibromo-4-hydroxybenzoate

3,5-Dibromo-4-hydroxybenzoic acid

C7H4Br2O3 (293.8527)

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

Cycloate

N-cyclohexyl-N-ethyl(ethylsulfanyl)formamide

C11H21NOS (215.1344)

PYRIDAFENTHION

PYRIDAPHENTHION

C14H17N2O4PS (340.0647)

Benzoyl ecgonine

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

C16H19NO4 (289.1314)

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

10,11-Dihydroxycarbamazepine

(9S,10S)-9,10-dihydroxy-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboximidic acid

C15H14N2O3 (270.1004)

10,11-Dihydroxycarbamazepine, also called carbamazepine diol, is a metabolite of both carbamazepine and oxcarbazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. Oxcarbazepine is an anticonvulsant and mood-stabilizing drug, used primarily in the treatment of epilepsy. It is also used to treat anxiety and mood disorders, and benign motor tics. (Wikipedia) CONFIDENCE standard compound; INTERNAL_ID 8581 CONFIDENCE standard compound; INTERNAL_ID 2668 CONFIDENCE standard compound; INTERNAL_ID 4109

Fenpropidin

1-(2-Methyl-3-(4-(2-methyl-2-propanyl)phenyl)propyl)piperidine

C19H31N (273.2456)

CONFIDENCE standard compound; INTERNAL_ID 8461 CONFIDENCE standard compound; INTERNAL_ID 2589 D016573 - Agrochemicals D010575 - Pesticides

Testosterone Phenylpropionate

17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate

C28H36O3 (420.2664)

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

Prazepam

7-chloro-1-(cyclopropylmethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

C19H17ClN2O (324.1029)

Prazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine that is used in the treatment of anxiety disorders. It is a schedule IV drug in the U.S. Prazepam is believed to stimulate GABA receptors in the ascending reticular activating system. Since GABA is inhibitory, receptor stimulation increases inhibition and blocks both cortical and limbic arousal following stimulation of the brain stem reticular formation. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

1,3,7-trimethylurate

1,3,7-Trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

C8H10N4O3 (210.0753)

1,3,7-Trimethyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 1,3,7-Trimethyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID:11712316, 15833286, 3506820, 15013152).

Aniline Yellow

Para-aminoazobenzene

C12H11N3 (197.0953)

D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8954; ORIGINAL_PRECURSOR_SCAN_NO 8952 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8961; ORIGINAL_PRECURSOR_SCAN_NO 8959 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8978; ORIGINAL_PRECURSOR_SCAN_NO 8977 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8974; ORIGINAL_PRECURSOR_SCAN_NO 8972 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8989; ORIGINAL_PRECURSOR_SCAN_NO 8988 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8997; ORIGINAL_PRECURSOR_SCAN_NO 8995 CONFIDENCE standard compound; INTERNAL_ID 2428 CONFIDENCE standard compound; INTERNAL_ID 8113 CONFIDENCE standard compound; INTERNAL_ID 4141

Clofentezine

3,6-Bis(O-chlorophenyl)-1,2,4,5-tetrazine

C14H8Cl2N4 (302.0126)

pramoxine

gamma-Morpholinopropyl 4-n-butoxyphenyl ether

C17H27NO3 (293.1991)

D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AB - Anesthetics for topical use C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AD - Local anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3273

2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline

5-ethyl-2-methyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole

C19H21N (263.1674)

2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline is a metabolite of methadone. Methadone (also known as Symoron, Dolophine, Amidone, Methadose, Physeptone, Heptadon, Phy and many other names) is a synthetic opioid, used medically as an analgesic and a maintenance anti-addictive for use in patients with opioid dependency. It was developed in Germany in 1937. Although chemically unlike morphine or heroin, methadone acts on the same opioid receptors as these drugs, and thus has many of the same effects. (Wikipedia)

3-Acetylmorphine

O(3)-Monoacetylmorphine

C19H21NO4 (327.1471)

D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

Luvangetin

10-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b]dipyran-2-one

C15H14O4 (258.0892)

D-Arabinono-1,4-lactone

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

C5H8O5 (148.0372)

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

4-Trimethylammoniobutanoate

C7H16NO2+ (146.1181)

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

4-Acetylbutyrate

gamma-Acetylbutyric acid

C6H10O3 (130.063)

4-Acetylbutyrate belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. KEIO_ID A092

1,2-CYCLOHEXANEDIOL

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

C6H12O2 (116.0837)

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

1,2-Dihydronaphthalene-1,2-diol

(1R,2S)-cis-1,2-Dihydro-1,2-naphthalenediol

C10H10O2 (162.0681)

A member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy groups at positions 1 and 2 respectively.

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

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

2,4-Dichlorobenzoate

2,4-DICHLOROBENZOIC ACID

C7H4Cl2O2 (189.9588)

KEIO_ID D135

threo-b-methylaspartate

DL-threo-beta-Methylaspartic acid

C5H9NO4 (147.0532)

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

3-Amino-1,2-propanediol

(S)-3-Amino-1,2-propanediol

C3H9NO2 (91.0633)

KEIO_ID A046

Cyanidin 3-O-sophoroside

Cyanidin-3-O-(2-O-beta-glucopyranosyl-beta-glucopyranoside)

[C27H31O16]+ (611.1612)

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

UNII:5K6L8O868Y

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

C15H12O3 (240.0786)

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

Pseudobaptigenin

3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one, 9ci

C16H10O5 (282.0528)

Isolated from Pisum sativum (pea) and Trifolium pratense (red clover). Pseudobaptigenin is found in many foods, some of which are canada blueberry, oval-leaf huckleberry, radish, and lentils. Pseudobaptigenin is found in herbs and spices. Pseudobaptigenin is isolated from Pisum sativum (pea) and Trifolium pratense (red clover).

Demethylmedicarpin

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

C15H12O4 (256.0736)

Senecionine N-oxide

Integerrimine N-oxide

C18H25NO6 (351.1682)

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2301 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 146 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 176 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 116 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 136 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 166 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 156 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 106 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 126 Senecionine n-oxide is the primary product of pyrrolizidine alkaloid biosynthesis in root cultures of Senecio vulgaris. Senecionine N-oxide has anti-cancer activity[1][2].

4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone

1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one

C13H16O2 (204.115)

4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is found in root vegetables. 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is a constituent of roots of Polymnia sonchifolia (yacon)

Chalepensin

3-(alpha,alpha-dimethylallyl)psoralen

C16H14O3 (254.0943)

D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins

trans-cinnamoyl-beta-D-glucoside

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-phenylprop-2-enoate

C15H18O7 (310.1052)

Trans-cinnamoyl-beta-d-glucoside, also known as 1-O-trans-cinnamoyl-beta-D-glucopyranose, is a member of the class of compounds known as O-cinnamoyl glycosides. O-cinnamoyl glycosides are o-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Trans-cinnamoyl-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-cinnamoyl-beta-d-glucoside can be found in a number of food items such as angelica, cherry tomato, garden cress, and yam, which makes trans-cinnamoyl-beta-d-glucoside a potential biomarker for the consumption of these food products. Trans-cinnamoyl-β-d-glucoside, also known as 1-O-trans-cinnamoyl-beta-D-glucopyranose, is a member of the class of compounds known as O-cinnamoyl glycosides. O-cinnamoyl glycosides are o-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Trans-cinnamoyl-β-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-cinnamoyl-β-d-glucoside can be found in a number of food items such as angelica, cherry tomato, garden cress, and yam, which makes trans-cinnamoyl-β-d-glucoside a potential biomarker for the consumption of these food products.

Pinoquercetin

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one

C16H12O7 (316.0583)

4-Aminoisoxazolidin-3-one

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

C3H6N2O2 (102.0429)

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

RUGULOSIN

C30H22O10 (542.1213)

Aminoundecanoic acid

11-amino-undecanoic acid

C11H23NO2 (201.1729)

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

Quizalofop-P-tefuryl

C22H21ClN2O5 (428.1139)

echinenone

Echinenone/ (Myxoxanthin)

C40H54O (550.4174)

A carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Window width for selecting the precursor ion was 3 Da.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

2,3-dihydroxyisovalerate

2,3-dihydroxy-3-methylbutanoic acid

C5H10O4 (134.0579)

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.

Ammelide

6-Amino-1,3,5-triazine-2,4(1H,3H)-dione

C3H4N4O2 (128.0334)

CONFIDENCE standard compound; UCHEM_ID 4186

Glutaryl-CoA

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

C26H42N7O19P3S (881.1469)

Glutaryl-CoA is a substrate for 2-oxoglutarate dehydrogenase E1 component (mitochondrial), Dihydrolipoyllysine-residue succinyltransferase component of 2- oxoglutarate dehydrogenase complex (mitochondrial) and Glutaryl-CoA dehydrogenase (mitochondrial). [HMDB] Glutaryl-CoA is a substrate for 2-oxoglutarate dehydrogenase E1 component (mitochondrial), Dihydrolipoyllysine-residue succinyltransferase component of 2- oxoglutarate dehydrogenase complex (mitochondrial) and Glutaryl-CoA dehydrogenase (mitochondrial).

Oxopent-4-enoate

(2E)-2-hydroxypenta-2,4-dienoic acid

C5H6O3 (114.0317)

2-Hydroxymuconate

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

C6H6O5 (158.0215)

3-Formylsalicylic Acid

2-Hydroxyisophthalaldehydic acid

C8H6O4 (166.0266)

D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

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

1-O-Hexadecyl-sn-glycero-3-phosphocholine

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide

C24H52NO6P (481.3532)

Polypodine B

(2beta,3beta,5beta,22R)-2,3,5,14,20,22,25-heptahydroxycholest-7-en-6-one

C27H44O8 (496.3036)

Pantoate

(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid

C6H12O4 (148.0736)

Pantoic acid (along with beta-alanine) is used to synthesize pantothenic acid (vitamin B5) in most microorganisms and plants. Pantothenic acid is a structural component of coenzyme A (CoA) which is involved in essential biological processes such as the citric acid cycle (TCA cycle) and the synthesis of carbohydrates, proteins, and fat. Pantothenic acid is found widespread in foods but especially in egg yolk, offal, fish, whole-grains, legumes, mushrooms, avocados, broccoli, and royal jelly (from bees).

(S)-Ureidoglycolic acid

(S)-[(Aminocarbonyl)amino]hydroxy-acetic acid

C3H6N2O4 (134.0328)

(S)-Ureidoglycolic acid is a substrate of enzyme ureidoglycolate dehydrogenase [EC 1.1.1.154] in purine metabolism pathway (KEGG). [HMDB] (S)-Ureidoglycolic acid is a substrate of enzyme ureidoglycolate dehydrogenase [EC 1.1.1.154] in purine metabolism pathway (KEGG).

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.

(S)-2-Aceto-2-hydroxybutanoic acid

2-Aceto-2-hydroxybutyric acid

C6H10O4 (146.0579)

Pentanoyl-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-(pentanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C26H44N7O17P3S (851.1727)

Pentanoyl CoA is an acyl-CoA with the C-5 Acyl chain. Acyl-CoA (or formyl-CoA) is a coenzyme involved in the metabolism of fatty acids. It is a temporary compound formed when coenzyme A (CoA) attaches to the end of a long-chain fatty acid, inside living cells. The CoA is then removed from the chain, carrying two carbons from the chain with it, forming acetyl-CoA. This is then used in the citric acid cycle to start a chain of reactions, eventually forming many adenosine triphosphates. To be oxidatively degraded, a fatty acid must first be activated in a two-step reaction catalyzed by acyl-CoA synthetase. First, the fatty acid displaces the diphosphate group of ATP, then coenzyme A (HSCoA) displaces the AMP group to form an Acyl-CoA. The acyladenylate product of the first step has a large free energy of hydrolysis and conserves the free energy of the cleaved phosphoanhydride bond in ATP. The second step, transfer of the acyl group to CoA (the same molecule that carries acetyl groups as acetyl-CoA), conserves free energy in the formation of a thioester bond. Consequently, the overall reaction Fatty acid + CoA + ATP <=> Acyl-CoA + AMP + PPi has a free energy change near zero. Subsequent hydrolysis of the product PPi (by the enzyme inorganic pyrophosphatase) is highly exergonic, and this reaction makes the formation of acyl-CoA spontaneous and irreversible. Fatty acids are activated in the cytosol, but oxidation occurs in the mitochondria. Because there is no transport protein for CoA adducts, acyl groups must enter the mitochondria via a shuttle system involving the small molecule carnitine. Pentanoyl coA is a acyl-CoA with the C-5 Acyl chain.

2-Acetolactate

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

C5H8O4 (132.0423)

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

Coelenterazine h

Renilla luciferin

C26H21N3O2 (407.1634)

Isopropyl catechol

3-isopropylbenzene-1,2-diol

C9H12O2 (152.0837)

pimeloyl-CoA

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

C28H46N7O19P3S (909.1782)

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

O-Phosphohomoserine

L-2-amino-4-Hydroxy-butyric acid dihydrogen phosphate (ester)

C4H10NO6P (199.0246)

O-phosphohomoserine is a naturally occurring analogue of phosphonate amino acids. O-phosphohomoserine has been found in trace amounts in shotgun-metabolomics analysis in mouse tissue extracts, and is the substrate of a threonine analog enzyme in murine species. O-phosphohomoserine, an analogue of the excitatory amino acid antagonist 2-amino-phosphonovalerate is an N-methyl-D-aspartate (NMDA) antagonist. (PMID: 3528930, 17034760, 17665876) [HMDB] O-phosphohomoserine is a naturally occurring analogue of phosphonate amino acids. O-phosphohomoserine has been found in trace amounts in shotgun-metabolomics analysis in mouse tissue extracts, and is the substrate of a threonine analog enzyme in murine species. O-phosphohomoserine, an analogue of the excitatory amino acid antagonist 2-amino-phosphonovalerate is an N-methyl-D-aspartate (NMDA) antagonist. (PMID: 3528930, 17034760, 17665876).

Tartronate semialdehyde

2-hydroxy-3-oxopropanoic acid

C3H4O4 (104.011)

Tartronate semialdehyde is an intermediate in ascorbate and aldarate as well as glyoxylate and dicarboxylate metabolism. It is generated from 2-dehydro-3-deoxy-D-glucarate and 5-dehydro-4-deoxy-D-glucarate via the enzyme 2-dehydro-3-deoxyglucarate aldolase [EC:4.1.2.20]. [HMDB]. Tartronate semialdehyde is found in many foods, some of which are wild leek, common salsify, sunflower, and new zealand spinach. Tartronate semialdehyde is an intermediate in ascorbate and aldarate as well as glyoxylate and dicarboxylate metabolism. It is generated from 2-dehydro-3-deoxy-D-glucarate and 5-dehydro-4-deoxy-D-glucarate via the enzyme 2-dehydro-3-deoxyglucarate aldolase [EC:4.1.2.20].

UDP-N-acetylmuramoyl-L-alanine

Uridine-5-diphosphate-n-acetylmuramoyl-l-alanine

C23H36N4O20P2 (750.1398)

all-trans-Hexaprenyl diphosphate

[({[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid

C30H52O7P2 (586.3188)

all-trans-Hexaprenyl diphosphate is the final product of the hexaprenyl diphosphate biosynthesis pathway. In this pathway, multiple units of isopentenyl diphosphate (IPP) undergo a series of polymerizations to form various polyisoprenoids. There are two different pathways for the biosynthesis of IPP. Bacteria that possess ubiquinone generally use the methylerythritol phosphate pathway (MEP), while the eukaryotic microorganisms use the mevalonate pathway. However, exceptions exist. For example, some eukaryotic microbes, like the green algae and the malarial parasite Plasmodium falciparum, appear to utilize the MEP pathway, and some bacteria utilize the mevalonate pathway (Eisenreich01, Eisenreich04). In Saccharomyces cerevisiae S288C, the initial addition of two isoprenyl units to form (E, E)-farnesyl diphosphate is catalyzed by geranyltransferase / dimethylallyltransferase, encoded by FPP1. An additional unit is added by farnesyltranstransferase (encoded by BTS1), resulting in the formation of all-trans-geranyl-geranyl diphosphate. The last enzyme in this pathway is hexaprenyl diphosphate synthase (encoded by COQ1), which adds additional isoprenoid units to a maximal length unique to the organism. In the case of Saccharomyces cerevisiae S288C, it is 6 units. Polyprenyl diphosphate synthase enzymes, such as hexaprenyl diphosphate synthase, are responsible for determining the final length of the tail. When yeast COQ1 mutants are complemented with homologs from other organisms, ubiquinone biosynthesis is restored, but the tail length of the quinone depends on the source of the enzyme. All-trans-hexaprenyl diphosphate is the final product of hexaprenyl diphosphate biosynthesis pathway.In this pathway multiple units of isopentenyl diphosphate (IPP) undergo a series of polymerizations to form various polyisoprenoids.

Cytomycin

Saitomycin

C17H23N7O5 (405.1761)

Rifamycin O

C39H47NO14 (753.2996)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins

1,4-Dithiane

Tetrahydro-1,4-dithiin

C4H8S2 (120.0067)

1,4-Dithiane, also known as p-dithiane or fema 3831, belongs to the class of organic compounds known as dithianes. Dithianes are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. A dithiane that is cyclohexane in which the -CH2- units at positions 1 and 2 have been replaced by sulfur atoms. 1,4-Dithiane is possibly neutral. 1,4-Dithiane is a fishy, garlic, and onion tasting compound. 1,4-Dithiane has been detected, but not quantified, in garden tomato. This could make 1,4-dithiane a potential biomarker for the consumption of these foods. Food additive listed in the EAFUS food additive database (Jan. 2001). Flavouring used in seasonings. 1,4-Dithiane is found in garden tomato.

iodophenol

2-IODOPHENOL

C6H5IO (219.9385)

Cyclopentanol

Cyclopentyl alcohol

C5H10O (86.0732)

Cyclopentanol, also known as cyclopentyl alcohol or hydroxycyclopentane, is a member of the class of compounds known as cyclopentanols. Cyclopentanols are compounds containing a cyclopentane ring that carries an alcohol group. Cyclopentanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). Cyclopentanol can be found in a number of food items such as walnut, cashew nut, cauliflower, and linden, which makes cyclopentanol a potential biomarker for the consumption of these food products.

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.

Raucaffricin

Vomilenine beta-D-glucopyranoside

C27H32N2O8 (512.2159)

Udp-glucosamine

UDP-D-GALACTOSAMINE DISODIUM SALT

C15H25N3O16P2 (565.071)

Z-Arg-Arg-NHMec

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

C30H39N9O6 (621.3023)

Uridine 2',3'-cyclic phosphate

1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

C9H11N2O8P (306.0253)

Uridine 2,3-cyclic phosphate is a cyclic nucleotide. A cyclic nucleotide is any nucleotide in which the phosphate group is bonded to two of the sugars hydroxyl groups, forming a cyclical or ring structure. Cyclic phosphates are commonly found at the 3 end of mRNAs and other small RNAs. Uridine 2,3-cyclic phosphate is a substrate for the enzyme 2,3-cyclic nucleotide-3-phosphodiesterase (CNPase, EC 3.1.4.37) which hydrolyses it to Uridine 2-phosphate. CNPase is a unique RNase in that it only cleaves nucleoside 2,3-cyclic phosphates and not the RNA internucleotide linkage, like other RNases such as RNase A and RNase T1. [HMDB] Uridine 2,3-cyclic phosphate is a cyclic nucleotide. A cyclic nucleotide is any nucleotide in which the phosphate group is bonded to two of the sugars hydroxyl groups, forming a cyclical or ring structure. Cyclic phosphates are commonly found at the 3 end of mRNAs and other small RNAs. Uridine 2,3-cyclic phosphate is a substrate for the enzyme 2,3-cyclic nucleotide-3-phosphodiesterase (CNPase, EC 3.1.4.37) which hydrolyses it to Uridine 2-phosphate. CNPase is a unique RNase in that it only cleaves nucleoside 2,3-cyclic phosphates and not the RNA internucleotide linkage, like other RNases such as RNase A and RNase T1.

Glutaconyl-CoA

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

C26H40N7O19P3S (879.1312)

Glutaconyl-CoA (CAS: 6712-05-6), also known as 4-carboxybut-2-enoyl-CoA, belongs to the class of organic compounds known as 2-enoyl CoAs. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain. Thus, glutaconyl-CoA is considered to be a fatty ester lipid molecule. Glutaconyl-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Glutaconyl-CoA is a substrate for glutaryl-CoA dehydrogenase. Glutaconyl-CoA is a substrate for Glutaryl-CoA dehydrogenase (mitochondrial). [HMDB]

4-guanidinobutanal

C5H11N3O (129.0902)

Acetylblasticidin S

C19H28N8O6 (464.2132)

A member of the class of blasticidins that is blasticidin S in which the side-chain amino group is acetylated.

p-Menthane-3,8-diol

(1R,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol;(1R,3R,4R)-2-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol;(1R,3R,4R)-p-menthane-3,8-diol

C10H20O2 (172.1463)

p-Menthane-3,8-diol is found in fruits. p-Menthane-3,8-diol is a constituent of the roots of Litsea cubeba (mountain pepper).p-Menthane-3,8-diol, also known as para-menthane-3,8-diol and PMD, is an active ingredient used in insect repellents. It smells similar to menthol and acts as a coolant. PMD is found in the oil within leaves of the Eucalyptus citriodora tree. This tree is native to Australia, but is now cultivated in many warm places around the world. This oil, when refined for use in insect repellents, is known as Oil of Lemon Eucalyptus or, more commonly, Citriodiol. Typically, Citriodiol contains 64\\% PMD (a mixture of the cis and trans isomers of p-menthane-3,8-diol). Citriodiol has been notified under the European Biocidal Products Directive (BPD) 98/8/EC and is currently proceeding through the registration process with the Heath and Safety Executive in the UK. It is the only natural ingredient that can now be used as an insect repellent D019141 - Respiratory System Agents > D005100 - Expectorants Constituent of the roots of Litsea cubeba (mountain pepper)

2-methyleneglutaric acid

Pentanedioic acid,2-methylene-

C6H8O4 (144.0423)

2,6-Dihydroxypyridine

C5H5NO2 (111.032)

3-hydroxyglutamic acid

(2S)-2-amino-3-hydroxypentanedioic acid

C5H9NO5 (163.0481)

An amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 3.

5-Phosphoribosylamine

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

C5H12NO7P (229.0351)

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

Guanidinoglutaric acid

α-Guanidinoglutaric Acid

C6H11N3O4 (189.075)

N5-methylglutamine

2-amino-5-(methylamino)-5-oxopentanoic acid

C6H12N2O3 (160.0848)

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).

phosphonoacetaldehyde

(2-oxoethyl)phosphonic acid

C2H5O4P (123.9925)

10-Formyldihydrofolate

(2S)-2-[(4-{N-[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]formamido}phenyl)formamido]pentanedioic acid

C20H21N7O7 (471.1502)

10-Formyldihydrofolate is a folate compound that has not been found as a component of intracellular folates in normal tissues but has been identified in the cytosol of methotrexate (MTX)-treated MCF-7 breast cancer cells and normal human myeloid precursor cells. The origin of 10-formyldihydrofolate remains an enigma. Its appearance only in the extracts from MTX-treated cells is not consistent with a simple oxidation of lO-formyl-H4folate during the extraction procedure. This, however, does not exclude the occurrence of spontaneous oxidation of 10-formyl-H4folate within the intact cells prior to the folate extraction. (PMID: 3366769) [HMDB] 10-formyldihydrofolate is a folate compound that has not been found as a component of intracellular folates in normal tissues but has been identified in the cytosol of methotrexate (MTX)-treated MCF-7 breast cancer cells and normal human myeloid precursor cells. The origin of 10-formyldihydrofolate remains an enigma. Its appearance only in the extracts from MTX-treated cells is not consistent with a simple oxidation of lO-formyl-H4folate during the extraction procedure. This, however, does not exclude the occurrence of spontaneous oxidation of 10-formyl-H4folate within the intact cells prior to the folate extraction. (PMID: 3366769).

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)

9-O-Acetylneuraminic acid

O-Acetylneuraminic acid; O-Acetylated sialic acid

C11H19NO9 (309.106)

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

2-Phosphoadenylylsulfate

2-Phospho-5-adenylyl sulfate

C10H15N5O13P2S (506.9862)

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)

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

Glucosamine-2,6-disulfate

N,6-O-Disulfo-D-glucosamine

C6H13NO11S2 (338.993)

Glycineamideribotide

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

C7H15N2O8P (286.0566)

Glycinamidoribotide conversion to N-formylglycinamide ribonucleotide is the third reaction of the de novo purine biosynthesis, a reaction catalyzed by the enzyme Glycinamide ribonucleotide transformylase (EC 2.1.2.2), with concomitant conversion of 10-formyltetrahydrofolate to tetrahydrofolate. (PMID: 9143358). Glycineamideribotide formation is stimulated by Luteinizing hormone (LH) and Chorionic gonadotropin (HCG) via activation of Glc-6-P-dehydrogenase (EC 1.1.1.49). (PMID: 4366083) [HMDB] Glycinamidoribotide conversion to N-formylglycinamide ribonucleotide is the third reaction of the de novo purine biosynthesis, a reaction catalyzed by the enzyme Glycinamide ribonucleotide transformylase (EC 2.1.2.2), with concomitant conversion of 10-formyltetrahydrofolate to tetrahydrofolate. (PMID: 9143358). Glycineamideribotide formation is stimulated by Luteinizing hormone (LH) and Chorionic gonadotropin (HCG) via activation of Glc-6-P-dehydrogenase (EC 1.1.1.49). (PMID: 4366083).

Cholesteryl glucoside

cholest-5-en-3beta-yl beta-D-glucopyranoside

C33H56O6 (548.4077)

(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).

D-myo-Inositol 3,4-bisphosphate

{[(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C6H14O12P2 (339.9961)

D-myo-Inositol 3,4-bisphosphate belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. D-myo-Inositol 3,4-bisphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). In humans, D-myo-inositol 3,4-bisphosphate participates in a number of enzymatic reactions. In particular, D-myo-inositol 3,4-bisphosphate can be biosynthesized from inositol 1,3,4-trisphosphate through the action of the enzyme inositol polyphosphate 1-phosphatase. D-myo-Inositol 3,4-bisphosphate is an intermediate in inositol phosphate metabolism. D-myo-Inositol 3,4-bisphosphate is converted from D-myo-inositol-3-phosphate via inositol polyphosphate-4-phosphatase (EC 3.1.3.66). 1D-myo-Inositol 3,4-bisphosphate is an intermediate in inositol phosphate metabolism. 1D-myo-Inositol 3,4-bisphosphate is converted from 1D-myo-inositol-3-phosphate via inositol polyphosphate-4-phosphatase [EC:3.1.3.66]. [HMDB]

4-Carboxy-4-hydroxy-2-oxoadipate

2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid

C7H8O8 (220.0219)

3,5/4-Trihydroxycyclohexa-1,2-dione

(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione

C6H8O5 (160.0372)

BENZOYLARGININE NITROANILIDE

N-Benzoyl-D-arginine-4-nitroanilide

C19H22N6O4 (398.1702)

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

Malyl-CoA

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

C25H40N7O20P3S (883.1262)

Malyl-CoA is a substrate of enzyme malyl-CoA lyase [EC 4.1.3.24] in glyoxylate and dicarboxylate metabolism pathway (KEGG). [HMDB] Malyl-CoA is a substrate of enzyme malyl-CoA lyase [EC 4.1.3.24] in glyoxylate and dicarboxylate metabolism pathway (KEGG).

4-Oxalomesaconate

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

C7H6O7 (202.0114)

H-Glu-Ome

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

C6H11NO4 (161.0688)

Imidazoleacetic acid riboside

2-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-4-yl}acetic acid

C10H14N2O6 (258.0852)

Imidazoleacetic acid riboside is a metabolite of imidazoleacetic acid (itself histamines oxidative metabolite). (PMID: 7616240). In kidney glomeruli, histamine is predominantly catabolized to acid metabolites of the diamine oxidase (histaminase) pathway, imidazoleacetic acid and Imidazoleacetic acid riboside. (PMID: 7616240). Imidazoleacetic acid riboside is a metabolite of imidazoleacetic acid (itself histamines oxidative metabolite). (PMID: 7616240)

(S)-Hydroxydecanoyl-CoA

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

C31H54N7O18P3S (937.2459)

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

S-2-Octenoyl CoA

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

C29H48N7O17P3S (891.204)

S-2-Octenoyl coenzyme A is an intermediate metabolite of fatty acid metabolism. Mitochondrial beta-oxidation of saturated acyl-CoA esters proceeds by a repeated cycle of four concerted reactions: flavoprotein-linked dehydrogenation, hydration, NAD-linked dehydrogenation and thiolysis. The three chain-length-specific acyl-CoA dehydrogenases which catalyse the first dehydrogenation step are linked to the respiratory chain by the electron-transferring flavoprotein (ETF) and ETF: ubiquinone oxidoreductase (ETF: QO). The second dehydrogenation step is catalysed by two chain-length-specific NAD+-dependent 3-hydroxyacyl-CoA dehydrogenases. The control of beta-oxidation in the mitochondrial matrix occurs at several steps and depends on the redox state and the rate of recycling of CoA. The rate is lowered with reduced states, since high NAD+/NADH ratios impair the activity of the hydroxyacyl-CoA dehydrogenase and increase the formation of ETF semiquinone (ETFSq), which is a potent inhibitor of the acyl-CoA dehydrogenases. These changes affect the steady-state concentrations of acyl-CoA intermediates, which in turn may change the control strength of other enzymes of the pathway. In liver mitochondria, acetyl-CoA produced by each cycle of beta-oxidation has four major routes of disposal: ketogenesis, oxidation by the citrate cycle, conversion into acetylcarnitine or hydrolysis to acetate; each of these reactions generates free CoA. During maximum flux through beta-oxidation, up to 95 \\% of the mitochondrial CoA pool is acylated, and thus the rate of recycling of CoA may partly control beta-oxidation. Increased steady-state concentrations of some acyl-CoA esters may also occur when one or more of the enzymes of beta-oxidation is inhibited, as in hypoglycin poisoning, or where one or more of the enzymes of the pathway is absent. Such inborn errors of beta-oxidation are being increasingly recognized as important causes of disease, especially in children, and deficiencies of long-chain-acyl-CoA dehydrogenase, medium-chain-acyl-CoA dehydrogenase, short-chain-acyl-CoA dehydrogenase, ETF, ETF: QO and acetoacetyl-CoA thiolase have been described. (PMID: 2818568).

Neurosporene

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

C40H58 (538.4538)

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

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,21-Dihydroxy-5b-pregnane-11,20-dione

(1S,2S,5R,7R,10S,11S,15S)-5-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one

C21H32O4 (348.23)

3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione is an intermediate in C21-Steroid hormone metabolism. 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione is converted from Tetrahydrocorticosterone via the enzyme 11beta-hydroxysteroid dehydrogenase (EC 1.1.1.146). It is then converted to 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one via the enzyme 3alpha(or 20beta)-hydroxysteroid dehydrogenase (EC 1.1.1.53). 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione is an intermediate in C21-Steroid hormone metabolism. 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione

Cysteineglutathione disulfide

(2S)-2-Amino-4-{[(1R)-2-[(2-amino-2-carboxyethyl)disulphanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

C13H22N4O8S2 (426.0879)

Cysteineglutathione disulfide is a molecule that is formed upon oxidative stress of glutathione, that will form mixed disulfides with protein thiol groups, causing reversible S-glutathionylation. S-glutathionylation is an important post-translational modification responsible for transducing oxidant signals. S-glutathionylation of thiols confers protection against their irreversible oxidation, like for instance the formation of sulphonic acid moieties. If the targeted cysteine is a functionally critical amino acid, S-glutathionylation will however also modify protein function. (PMID 16515838). S-sulfonation and S-thiolation of transthyretin Phe33Cys has been detected in a patient with familial transthyretin amyloidosis. (PMID 12876326). In Cystinotic human skin fibroblasts in tissue culture there is an accumulation of cystine. Stored cystine in cystinotic tissues may derive in part from glutathione-cysteine mixed disulfide via transpeptidation. (PMID 6130452). Cystinosis is an autosomal recessive disorder caused by an impaired transport of cystine out of lysosomes. (PMID 15042893). Cysteineglutathione disulfide is a molecule that is formed upon oxidative stress of glutathione, that will form mixed disulfides with protein thiol groups, causing reversible S-glutathionylation. [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).

Isoglutamate

3-Aminopentanedioic acid

C5H9NO4 (147.0532)

Gamma-Glutamyl-Se-methylselenocysteine

(2S)-2-amino-5-[(1-carboxy-2-methylselanyl-ethyl)amino]-5-oxo-pentanoic acid

C9H16N2O5Se (312.0224)

gamma-Glutamyl-Se-methylselenocysteine is an intermediate in selenoamino acid metabolism(KEGG ID C05695). It is generated from Se-methyl-selenocysteine via the enzyme gamma-glutamyltranspeptidase [EC:2.3.2.2]. [HMDB] gamma-Glutamyl-Se-methylselenocysteine is an intermediate in selenoamino acid metabolism(KEGG ID C05695). It is generated from Se-methyl-selenocysteine via the enzyme gamma-glutamyltranspeptidase [EC:2.3.2.2].

Selenomethionine se-oxide

Butanoic acid, 2-amino-4-(methylseleninyl)-

C5H11NO3Se (212.9904)

This compound belongs to the family of Alpha Amino Acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Methylimidazole acetaldehyde

2-(1-methyl-1H-imidazol-4-yl)acetaldehyde

C6H8N2O (124.0637)

Methyimidazole acetaldehyde is a metabolite of histamine. The metabolites of ethanol and acetaldehyde can successfully compete with methylimidazole acetaldehyde, since the alcohol and histamine metabolic pathways in the body have two enzymes in common, aldehyde dehydrogenase and aldehyde oxidase. (PMID: 10344773) [HMDB] Methyimidazole acetaldehyde is a metabolite of histamine. The metabolites of ethanol and acetaldehyde can successfully compete with methylimidazole acetaldehyde, since the alcohol and histamine metabolic pathways in the body have two enzymes in common, aldehyde dehydrogenase and aldehyde oxidase. (PMID: 10344773).

Dihydrotricetin

5,7,3,4,5-Pentahydroxyflavanone

C15H12O7 (304.0583)

Vitamin A2 aldehyde

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal

C20H26O (282.1984)

Vitamin A2 aldehyde is found in fishes. Vitamin A2 aldehyde is a constituent fish of liver oils D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Constituent fish of liver oils. Vitamin A2 aldehyde is found in fishes.

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.

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).

2-Hydroxyethylphosphonate

(2-Hydroxyethyl)phosphonic acid

C2H7O4P (126.0082)

5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole

5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole

C18H20Cl2N2O3 (382.0851)

p-Chloroacetophenone

1-(4-Chlorophenyl)ethanone

C8H7ClO (154.0185)

N2-(Carboxyethyl)-L-arginine

N2-(2-Carboxyethyl)-L-arginine

C9H18N4O4 (246.1328)

Deoxyamidinoproclavaminate

Deoxyguanidinoproclavaminic acid

C9H16N4O3 (228.1222)

Amidinoproclavaminate

3-hydroxy-5-guanidino-2-(2-oxoazetidin-1-yl)pentanoic acid

C9H16N4O4 (244.1171)

Proclavaminate

Proclavaminic acid

C8H14N2O4 (202.0954)

Thienamycin

Epithienamycin

C11H16N2O4S (272.0831)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

2,6-Dichlorohydroquinone

2,6-DICHLORO-1,4-HYDROQUINONE

C6H4Cl2O2 (177.9588)

Limonene-1,2-diol

(1S,2S,4R)-Limonene-1,2-diol

C10H18O2 (170.1307)

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

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

Diloxanide

4-(2,2-Dichloro-N-methylacetamido)phenyl furan-2-carboxylic acid

C14H11Cl2NO4 (327.0065)

Diloxanide furoate is an anti-protozoal drug used in the treatment of Entamoeba histolytica and some other protozoal infections. Although it is not currently approved for use in the United States, it was approved by a CDC study in the treatment of 4,371 cases of Entamoeba histolytica from 1977 to 1990. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents

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

Albizziin

L-2-Amino-3-ureidopropionic acid

C4H9N3O3 (147.0644)

L-albizziin, as a sulfhydryl group reagent, is a glutamase inhibitor. L-albizziin can be used for the research of cancer[1].

Glucolepidiin

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

C9H17NO9S2 (347.0345)

Glucolepidiin, also known as ethyl glucosinolate, is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Glucolepidiin is soluble (in water) and an extremely strong acidic compound (based on its pKa). Glucolepidiin can be found in garden cress, horseradish, and radish, which makes glucolepidiin a potential biomarker for the consumption of these food products.

Cucurbic acid

{(1R,2S,3S)-3-hydroxy-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid

C12H20O3 (212.1412)

6-Epi-7-isocucurbic acid is found in nuts. 6-Epi-7-isocucurbic acid is a constituent of Vicia faba and Juglans regia (walnut). Constituent of Vicia faba and Juglans regia (walnut). 6-Epi-7-isocucurbic acid is found in pulses, nuts, and rye.

delta-Carotene

(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,5,5-trimethylcyclohex-1-ene

C40H56 (536.4382)

delta-Carotene (CAS: 472-92-4), also known as epsilon,psi-carotene, belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Thus, delta-carotene is considered to be an isoprenoid lipid molecule. delta-Carotene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Found in carrots and tomatoes

Cucurbitacin L

Dihydrocucurbitacin I

C30H44O7 (516.3087)

Asclepin

3-O-Acetylcalotropin

C31H42O10 (574.2778)

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides

SCILLIROSIDE

C32H44O12 (620.2833)

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides

Toxol

NSC247530

C13H14O3 (218.0943)

Tremetone

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

C13H14O2 (202.0994)

Eburnamine

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

C19H24N2O (296.1889)

Croton factor F1

Hexadecanoic acid,(1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen

C38H60O9 (660.4237)

D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters

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).

Carnegine

(+-)-Carnegine

C13H19NO2 (221.1416)

Hymenoxon

5,7-dihydroxy-4a,9-dimethyl-3-methylidenedecahydrofuro[2,3:5,6]cyclohepta[1,2-c]pyran-2(3h)-one

C15H22O5 (282.1467)

vermeerin

4a,9-dimethyl-3-methylideneoctahydrofuro[2,3:5,6]cyclohepta[1,2-c]pyran-2,7(3h,4h)-dione

C15H20O4 (264.1362)

Davidigenin

1- (2,4-Dihydroxyphenyl) -3- (4-hydroxyphenyl) -1-propanone

C15H14O4 (258.0892)

A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2, and 4 respectively.

7,4-Dihydroxy-8-methylflavan

2-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

C16H16O3 (256.1099)

Epilubimin

8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde

C15H24O2 (236.1776)

Stress product from potato tubers. Lubimin is found in eggplant and potato. Lubimin is found in eggplant. Stress product from potato tuber

Rishitin

1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol

C14H22O2 (222.162)

Constituent of the tubers of white potatoes (Solanum subspecies) infected by Phytophthora infestans. Rishitin is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, red bell pepper, and garden tomato (variety). Rishitin is found in alcoholic beverages. Rishitin is a constituent of the tubers of white potatoes (Solanum species) infected by Phytophthora infestans

Rugosal

Rugosal A; Rugosal

C15H22O4 (266.1518)

Warburganal

C15H22O3 (250.1569)

dolichodial

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

C10H14O2 (166.0994)

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

Strobopinin

(2S) -2,3-Dihydro-5,7-dihydroxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one

C16H14O4 (270.0892)

A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and a methyl group at position 6 respectively.

Geraldone

C16H12O5 (284.0685)

N-Acetylpuromycin

C24H31N7O6 (513.2336)

prontosil

p-[(2,4-diaminophenyl)azo]benzenesulphonamide

C12H13N5O2S (291.079)

A diphenyldiazene compound having two amino substituents at the 2- and 4-positions and an aminosulphonyl substituent at the 4-position. It was the first antibacterial drug, (introduced 1935) and the first of the sulfonamide antibiotics. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent

Pollinastanol

12,16-dimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol

C28H48O (400.3705)

Pollinastanol is found in dandelion. Pollinastanol is isolated from Smilax medica (Sarsaparilla

Psorospermin

C19H16O6 (340.0947)

An organic heterotetracyclic compound that is 1,2-dihydro-6H-furo[2,3-c]xanthene substituted by a hydroxy group at position 10, a methoxy group at position 5 nad a 2-methyloxiran-2-yl group at position 2.

Oxyanin B

Oxyayanin-B

C18H16O8 (360.0845)

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.

Dihydroconiferyl alcohol

3-(4-hydroxy-3-methoxyphenyl)-propan-1-ol

C10H14O3 (182.0943)

Dihydroconiferyl alcohol, also known as 3-(4-guaiacyl)propanol or 3-(4-hydroxy-3-methoxyphenyl)-propan-1-ol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Dihydroconiferyl alcohol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydroconiferyl alcohol can be found in lettuce and romaine lettuce, which makes dihydroconiferyl alcohol a potential biomarker for the consumption of these food products. Dihydroconiferyl alcohol is a cell division factor that can be found in pring sap of Acer pseudoplatanus L. Dihydroconiferyl alcohol can stimulate growth of soybean callus[1].

Decalin

Decaline; Decalin

C26H31NO5 (437.2202)

Flindersiamine

8-Methoxy-6,7-methylenedioxydictamnine

C14H11NO5 (273.0637)

Alkaloid L

Cycloprotobuxine C

C27H48N2 (400.3817)

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).

Bacteriochlorophyll b

(7R,8Z)-bacteriochlorophyll b

C55H72MgN4O6 (908.5302)

NAc-AAA-ME

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

C12H21N3O5 (287.1481)

Benzoxazolinate

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

C11H9NO5 (235.0481)

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)

4,21-Dehydrocorynantheine aldehyde

C21H23N2O3+ (351.1709)

SB 221284

C16H14F3N3OS (353.081)

Pivampicillin

[(2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyloxy]methyl 2,2-dimethylpropanoate

C22H29N3O6S (463.1777)

Pivampicillin is only found in individuals that have used or taken this drug. It is an analog of ampicillin.Ampicillin (the active metabolite of pivampicillin) has a bactericidal action resulting from inhibition of cell wall mucopeptide biosynthesis. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D08396

R-Soterenol

N-[2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

C12H20N2O4S (288.1144)

C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator

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)

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)

2-Butenyl-4-methylthreonine

(E)-2-Butenyl-4-methyl-threonine; 2-Butenyl-4-methylthreonine

C9H17NO3 (187.1208)

p-coumaroyltriacetic acid lactone

C15H12O5 (272.0685)

Luteoliflavan

3,4,5,7-tetrahydroxyflavan

C15H14O5 (274.0841)

A tetrahydroxyflavan in which the four hydroxy groups are located at positions 3, 4, 5 and 7.

Yemenine A

O-Demethylcrinamine 3-acetate

C18H19NO5 (329.1263)

Crinamidine

C17H19NO5 (317.1263)

Papyramine

C18H23NO4 (317.1627)

3-Buten-1-amine

C4H9N (71.0735)

Cyclohexyl acetate

Cyclohexyl ester OF acetic acid

C8H14O2 (142.0994)

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

Tetracenomycin A2

C23H18O8 (422.1002)

Tetracenomycin B2

8-Demethyltetracenomycin A2

C22H16O8 (408.0845)

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.

Monobromobisphenol A

3-Monobromobisphenol A

C15H15BrO2 (306.0255)

Adenophostin B

C18H28N5O19P3 (711.0591)

NS-102

5-Nitro-6,7,8,9-tetrahydrobenzo(G)indole-2,3-dione-3-oxime

C12H11N3O4 (261.075)

NS-102 is a selective kainate (GluK2) receptor antagonist. NS-102 is a potent GluR6/7 receptor antagonist[1][2][3].

202-791

isopropyl (4S)-4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

C17H18N4O5 (358.1277)

D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

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

Caldarchaeol

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

C86H172O6 (1301.3153)

1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphocholine

1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphocholine; 1-Palmitoyl-2-(5-hydroxy-8-oxooct-6-enoyl)-sn-glycero-3-phosphocholine

C32H60NO10P (649.3955)

3-Methylsalicylaldehyde

2-Hydroxy-3-methylbenzaldehyde

C8H8O2 (136.0524)

3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide

3,4-Dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzene-1-sulphonamide

C17H15N3O6S2 (421.0402)

Phenyl salicylate

Benzoic acid, 2-hydroxy-, phenyl ester

C13H10O3 (214.063)

Phenyl salicylate, also known as salol or musol, belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Phenyl salicylate is a mild, sweet, and balsam tasting compound. Phenyl salicylate is a potentially toxic compound. Phenyl salicylate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). It is hydrolyzed to salicylic acid . It is used for the treatment of inflammation in the lower urinary tract. CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528 D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals ATC code: G04BX12

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

C12H6Cl4O2 (321.9122)

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

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

C12H4Cl6 (357.8444)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

2,2-Dihydroxybenzophenone

2,2-dihydroxy benzophenone

C13H10O3 (214.063)

Diphenolic acid

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

C17H18O4 (286.1205)

2,6-Dimethyl-naphtalene

2,6-Dimethylnaphthalene ion (1-)

C12H12 (156.0939)

2,6-Dimethyl-naphtalene belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Flavouring compound [Flavornet]

Tridecanol

1-Tridecanol, trialuminum salt

C13H28O (200.214)

1-tridecanol is a long chain fatty alcohol with a C-13 carbon back bone. It was found to be the most effective for controlling cariogenic bacterium. [HMDB] 1-tridecanol is a long chain fatty alcohol with a C-13 carbon back bone. It was found to be the most effective for controlling cariogenic bacterium.

Chinomethionat

6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate

C10H6N2OS2 (233.9922)

D016573 - Agrochemicals D010575 - Pesticides

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]

Solvent Orange 3

Chrysoidine free base

C12H12N4 (212.1062)

Oxylone acetate

9-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 17-acetate

C24H31FO5 (418.2155)

C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid Same as: D04221

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

2,2-Dichloroacetaldehyde

α,α-dichloroacetaldehyde

C2H2Cl2O (111.9483)

This compound belongs to the family of Enolates. These are salts of enols (or of the tautomeric aldehydes or ketones), in which the anionic charge is delocalized over oxygen and carbon, or similar covalent metal derivatives in which the metal is bound to oxygen.

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)

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)

Fluoroacetaldehyde

2-fluoroacetaldehyde

C2H3FO (62.0168)

Vicenistatin

C30H48N2O4 (500.3614)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

Barbamide

C20H23Cl3N2O2S (460.0546)

Episterol

(1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol

C28H46O (398.3548)

Episterol belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Thus, episterol is considered to be a sterol lipid molecule. Episterol is involved in the biosynthesis of steroids. Episterol is converted from 24-methylenelophenol. Episterol is converted into 5-dehydroepisterol by lathosterol oxidase (EC 1.14.21.6). Episterol is involved in the biosynthesis of steroids. Episterol is converted from 24-Methylenelophenol. Episterol is converted to 5-Dehydroepisterol by lathosterol oxidase [EC:1.14.21.6]. [HMDB]. Episterol is found in many foods, some of which are common chokecherry, eggplant, wax gourd, and red huckleberry.

3-Dehydroteasterone

14-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,8-dione

C28H46O4 (446.3396)

Constituent of wheat grains Triticum aestivum. 3-Dehydroteasterone is found in many foods, some of which are american cranberry, calabash, spearmint, and quinoa. 3-Dehydroteasterone is found in cereals and cereal products. 3-Dehydroteasterone is a constituent of wheat grains Triticum aestivum.

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.

all-trans-3,4-didehydrolycopene

(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene

C40H54 (534.4225)

All-trans-3,4-didehydrolycopene is a member of the class of compounds known as carotenes. Carotenes are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Thus, all-trans-3,4-didehydrolycopene is considered to be an isoprenoid lipid molecule. All-trans-3,4-didehydrolycopene can be found in a number of food items such as kale, giant butterbur, citrus, and ginkgo nuts, which makes all-trans-3,4-didehydrolycopene a potential biomarker for the consumption of these food products.

Chlorobactene

C40H52 (532.4069)

A carotenoid that is 1,2,4-trimethylmenzene in which the hydrogen at position 3 has been replaced by an all-trans-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl group. Found in photosynthetic green bacteria. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

leucokininI

Leucokinin I

C41H53N11O12 (891.3875)

Zeaxanthin diglucoside

(3R,3R)-3,3-Di(beta-D-glucopyranosyloxy)-beta,beta-carotene

C52H76O12 (892.5336)

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

6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate

C12H22NO12P (403.088)

A myo-inositol cyclic phosphate that is 1D-myo-inositol 1,2-cyclic phosphate having an alpha-D-glucosaminyl residue attached at the 6-position.

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).

Medicocarpin

2-(hydroxymethyl)-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxane-3,4,5-triol

C22H24O9 (432.142)

Isolated from roots of Medicago sativa (alfalfa) and Trifolium repens (white clover). Medicocarpin is found in many foods, some of which are alfalfa, herbs and spices, pulses, and tea. Medicocarpin is found in alfalfa. Medicocarpin is isolated from roots of Medicago sativa (alfalfa) and Trifolium repens (white clover). Medicarpin 3-O-glucoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=52766-70-8 (retrieved 2024-08-20) (CAS RN: 52766-70-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Petromyzonol

3α,7α,12α,24-tetrahydroxy-5α-cholane

C24H42O4 (394.3083)

Thiobenzamide S-oxide

Phenyl(sulphinylidene)methanamine

C7H7NOS (153.0248)

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.

Fructoselysine 6-phosphate

C12H25N2O10P (388.1247)

An L-lysine derivative having a 6-phosphofructosyl group attached to the side-chain amino group.

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)

Alcophosphamide

3-({amino[bis(2-chloroethyl)amino]phosphoryl}oxy)propan-1-ol

C7H17Cl2N2O3P (278.0354)

Detoxification of cyclophosphamide is effected, in part, by hepatic class 1 aldehyde dehydrogenase (ALDH-1)-catalyzed oxidation of aldophosphamide, a pivotal aldehyde intermediate, to the nontoxic metabolite, carboxyphosphamide. Detoxification of aldophosphamide may also be effected by enzymes, viz. Thus, NAD-linked oxidation and NADPH-linked reduction of aldophosphamide catalyzed by relevant erythrocyte enzymes were quantified. (PMID: 9394035) It has already been demonstrated that horse liver alcohol dehydrogenase catalyzes the reduction of aldophosphamide to alcophosphamide. (PMID: 8216347) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

Homotrypanothione

Homotrypanothione; N1,N9-Bis(glutathionyl)aminopropylcadaverine

C28H51N9O10S2 (737.32)

2-PSA

2-PROPYL SUCCINIC ACID

C7H12O4 (160.0736)

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

carthamidin

4,5,7,8-TETRAHYDROXYFLAVANONE

C15H12O6 (288.0634)

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)

AL-294

Ethyl 2-chloro-3-[4-(2-methyl-2-phenylpropoxy)phenyl]propanoate

C21H25ClO3 (360.1492)

Platycodin C

3O-acetylplatycodin D

C59H94O29 (1266.588)

gamma-Terpineol

1-Methyl-4-(1-methylethylidene)cyclohexanol, 9ci

C10H18O (154.1358)

gamma-Terpineol is found in ceylan cinnamon. gamma-Terpineol is isolated from carrot oils, from the cinnamon tree (Cinnamomum zeylanicum) and Scotch pine (Pinus sylvestris).Terpineol is a naturally occurring monoterpene alcohol that has been isolated from a variety of sources such as cajuput oil, pine oil, and petitgrain oil. There are three isomers, alpha-, beta-, and gamma-terpineol, the last two differing only by the location of the double bond. Terpineol is usually a mixture of these isomers with alpha-terpineol as the major constituent. (Wikipedia). Isolated from carrot oils, from the cinnamon tree (Cinnamomum zeylanicum) and Scotch pine (Pinus sylvestris)

Butirosin

butirosin A

C21H41N5O12 (555.2752)

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

Methylarbutin

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol

C13H18O7 (286.1052)

(6E)-8-hydroxygeraniol

trans,trans-2,6-Dimethyl-2,6-octadiene-1,8-diol

C10H18O2 (170.1307)

(6e)-8-hydroxygeraniol, also known as trans,trans-2,6-dimethyl-2,6-octadiene-1,8-diol, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle (6e)-8-hydroxygeraniol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (6e)-8-hydroxygeraniol can be found in a number of food items such as spelt, barley, italian sweet red pepper, and european plum, which makes (6e)-8-hydroxygeraniol a potential biomarker for the consumption of these food products.

Isodeoxycholic acid

(4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid

C24H40O4 (392.2926)

Isodeoxycholic acid is a human fecal 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. 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: 3667743, 11316487, 16037564, 12576301, 11907135). Isodeoxycholic acid is a human fecal 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. [Analytical] Sample of 1 micorL methanol solution was flow injected.

Rindoside

Gelidoside

C35H42O21 (798.2218)

4'-Hydroxyflavanone

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

C15H12O3 (240.0786)

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

Isomorellic acid

(2Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid

C33H36O8 (560.241)

Morellic acid is found in fruits. Morellic acid is from Garcinia morella (batuan Isomorellic acid is a member of pyranoxanthones. Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1]. Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1].

Liquiritigenin

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

C15H12O4 (256.0736)

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

Ribonolactone

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

C5H8O5 (148.0372)

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

(E)-1-O-Cinnamoyl-beta-D-glucose

3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-phenylprop-2-enoic acid

C15H18O7 (310.1052)

(E)-1-O-Cinnamoyl-beta-D-glucose is found in fruits. (E)-1-O-Cinnamoyl-beta-D-glucose is a constituent of Vaccinium vitis-idaea (cowberry)

gamma-Muurolene

(1R,4aR,8aS)-7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

C15H24 (204.1878)

gamma-Muurolene is found in carrot. gamma-Muurolene is a constituent of Pinus sylvestris (Scotch pine).

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).

9-Hydroxygeraniol

2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-

C10H18O2 (170.1307)

9-Hydroxygeraniol is found in herbs and spices. 9-Hydroxygeraniol is a constituent of tarragon (Artemisia dracunculus). Constituent of tarragon (Artemisia dracunculus). 9-Hydroxygeraniol is found in herbs and spices.

7b,12a-Dihydroxycholanoic acid

(4R)-4-[(1S,2S,7S,9S,10R,11S,14R,15R,16S)-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid

C24H40O4 (392.2926)

7beta,12alpha-Dihydroxycholanoic 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).

Butyl hexanoate

Butyl ester OF hexanoic acid

C10H20O2 (172.1463)

Present in fruits and berries, e.g. apricot, banana, orange, wine grapes, papaya etcand is) also present in beer, apple brandy and plum wine. It is used in fruit flavourings. Butyl hexanoate is found in many foods, some of which are fruits, pomes, alcoholic beverages, and citrus. Butyl hexanoate is found in alcoholic beverages. Butyl hexanoate is present in fruits and berries, e.g. apricot, banana, orange, wine grapes, papaya etc. Also present in beer, apple brandy and plum wine. Butyl hexanoate is used in fruit flavourings.

(2E)-Octenoyl-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)-oct-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C29H48N7O17P3S (891.204)

(2E)-Octenoyl-CoA is the main metabolite produced in medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3, MCAD) deficiency; however the product of the enzymatic reaction is not directly detected in several methods for screening of inborn errors of fatty acid oxidation. In order to aid the timely follow-up of screening results that suggest abnormalities in MCAD, rapid and simple confirmatory tests for the enzyme activity and/or gene mutation analysis should be available. Medium-chain fatty acyl-CoA dehydrogenase (MCAD) catalyzes the conversion of different chain length fatty acyl- CoAs into their corresponding trans-enoyl-CoA moieties via two consecutive sequences of steps. The first step involves the concerted abstraction of a proton and a hydride ion from the a- and 8-carbon chains of the fatty acyl-CoA substrates, concomitant with the reduction of the enzyme (E)-bound FAD to FADH2. The reoxidation of EFADH2, to propagate further rounds of catalysis, is accomplished via transfer of electrons to a variety of organic electron acceptors; the natural electron acceptor for this process, under physiological conditions, is the electron-transferring flavoprotein. Of the different chain length fatty acyl-CoA substrates, octanoyl-CoA/octenoyl-CoA have been known as the most efficient (and physiological) substrates for the medium-chain fatty acyl-CoA dehydrogenase (MCAD)-catalyzed reaction. (PMID: 16046200, 1390638, 8038175). (2E)-Octenoyl-CoA is the main metabolite produced in medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3, MCAD) deficiency; however the product of the enzymatic reaction is not directly detected in several methods for screening of inborn errors of fatty acid oxidation. In order to aid the timely follow-up of screening results that suggest abnormalities in MCAD, rapid and simple confirmatory tests for the enzyme activity and/or gene mutation analysis should be available.

Arecatannin A3

2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C75H62O30 (1442.3326)

Arecatannin A3 is found in nuts. Arecatannin A3 is isolated from Areca catechu (betel nut). Isolated from Areca catechu (betel nut). Arecatannin A3 is found in nuts.

4-Androsten-4-ol-3,17-dione

6-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione

C19H26O3 (302.1882)

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

1,2-Cyclohexanediol

1,2-Cyclohexanediol, (trans)-isomer

C6H12O2 (116.0837)

5,8,11-Eicosatrienoic acid, 14,15-dihydroxy-, (5Z,8Z,11Z)-

C20H34O4 (338.2457)

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

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

C9H11NO3 (181.0739)

2-Amino-4-oxopentanoic acid

C5H9NO3 (131.0582)

2,4-Diaminoazobenzene

4-(2-phenyldiazen-1-yl)benzene-1,3-diamine

C12H12N4 (212.1062)

3,5-Cyclohexadiene-1,2-diol

5,6-Dihydroxycyclohexa-1,3-diene, (trans)-isomer

C6H8O2 (112.0524)

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-Aminoazobenzene

4-(2-phenyldiazen-1-yl)aniline

C12H11N3 (197.0953)

D004396 - Coloring Agents

6-Ethylchenodeoxycholic acid

4-{8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl}pentanoic acid

C26H44O4 (420.3239)

D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

BENZOYLARGININE NITROANILIDE

5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)-2-(phenylformamido)pentanamide

C19H22N6O4 (398.1702)

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

Cholestan-3-one

2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

C27H46O (386.3548)

Evodiamine

21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one

C19H17N3O (303.1372)

(±)-Evodiamine, a quinazolinocarboline alkaloid, is a Top1 inhibitor. Evodiamine exhibits anti-inflammatory, antiobesity, and antitumor effects. (±)-Evodiamine inhibits the proliferation of a wide variety of tumor cells by inducing their apoptosis[1].

Doisynoestrol

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

C19H22O3 (298.1569)

Verlukast

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

C26H27ClN2O3S2 (514.1152)

S-DNP-Glutathione

2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,4-dinitrophenyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C16H19N5O10S (473.0853)

Soterenol monohydrochloride

2-Hydroxy-5-(1-hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide monohydrochloride

C12H20N2O4S (288.1144)

C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator

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

C20H28N2O5S (408.1719)

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

Risbitin

(1S,2R,3R,7R)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol

C14H22O2 (222.162)

Risbitin, also known as rishitin, (1s-(1alpha,2beta,3alpha,7beta))-isomer, is a member of the class of compounds known as 1,2-diols. 1,2-diols are polyols containing an alcohol group at two adjacent positions. Risbitin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Risbitin can be found in potato, which makes risbitin a potential biomarker for the consumption of this food product.

(S)-3-hydroxydecanoyl-CoA

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

C31H54N7O18P3S (937.2459)

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

oxalosuccinate

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

C6H6O7 (190.0114)

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

Cyanidin 3-sophoroside

Cyanidin 3-O-sophoroside

C27H31O16+ (611.1612)

3,5-Dibromo-4-hydroxybenzoic acid

C7H4Br2O3 (293.8527)

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

2,4-DICHLOROBENZOIC ACID

C7H4Cl2O2 (189.9588)

A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups.

Geraldone

7,4-Dihydroxy-3-methoxyflavone

C16H12O5 (284.0685)

A dihydroxyflavone that is the 5-deoxy-derivative of 4,5,7-trihydroxy-3-methoxyflavone (chrysoeriol).

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.

Pinoquercetin

3,3,4,5,7-Pentahydroxy-6-methylflavone

C16H12O7 (316.0583)

A pentahydroxyflavone that is quercetin substituted by a methyl group at position 6.

Pseudobaptigenin

3- (1,3-Benzodioxol-5-yl) -7-hydroxy-4H-1-benzopyran-4-one

C16H10O5 (282.0528)

A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group.

4-Androsten-4-ol-3,17-dione

C19H26O3 (302.1882)

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

DL-Cycloserine

4-Aminoisoxazolidin-3-one

C3H6N2O2 (102.0429)

guaiacyl propanol

3-(4-Hydroxy-3-methoxyphenyl)-1-propanol;Dihydroconiferyl Alcohol

C10H14O3 (182.0943)

Dihydroconiferyl alcohol is a member of class of phenols that is 2-methoxyphenol substituted by a 3-hydroxypropyl group at position 4. It has a role as a plant metabolite. It is a primary alcohol and a eugenol. Dihydroconiferyl alcohol is a natural product found in Euterpe oleracea, Broussonetia papyrifera, and other organisms with data available. See also: Acai fruit pulp (part of). A member of class of phenols that is 2-methoxyphenol substituted by a 3-hydroxypropyl group at position 4. Dihydroconiferyl alcohol is a cell division factor that can be found in pring sap of Acer pseudoplatanus L. Dihydroconiferyl alcohol can stimulate growth of soybean callus[1].

Benzoylecgonine

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

C16H19NO4 (289.1314)

CONFIDENCE standard compound; EAWAG_UCHEM_ID 2823

Fenpropidin

C19H31N (273.2456)

D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 2958

D-glucosamine 6-phosphate

C6H14NO8P (259.0457)

N-Acetyl-DL-aspartic acid

C6H9NO5 (175.0481)

1,3,7-Trimethyluric acid

C8H10N4O3 (210.0753)

An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine.

prazepam

C19H17ClN2O (324.1029)

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

1-O-trans-Cinnamoyl-beta-D-glucopyranose

C15H18O7 (310.1052)

Lotaustralin

(R)-2-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butanenitrile

C11H19NO6 (261.1212)

Lotaustralin is a cyanogenic glycoside. Lotaustralin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Lotaustralin is a cyanogenic glucoside isolated from Manihot esculenta [1].

pivampicillin

C22H29N3O6S (463.1777)

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D08396

12-HETE-[d8]

C20H32O3 (320.2351)

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

RESORCINOL MONOACETATE

Resorcinol (monoacetate)

C8H8O3 (152.0473)

C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent Same as: D02393

Clofentezine

Pesticide4_Clofentezine_C14H8Cl2N4_1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-

C14H8Cl2N4 (302.0126)

5,7,3,4,5-Pentahydroxyflavanone

C15H12O7 (304.0583)

3a,21-Dihydroxy-5b-pregnane-11,20-dione

C21H32O4 (348.23)

Malyl-CoA

C25H40N7O20P3S (883.1262)

glutaconyl-CoA

C26H40N7O19P3S (879.1312)

PENTADECANAL

C15H30O (226.2297)

A long-chain fatty aldehyde that is pentadecane carrying an oxo substituent at position 1. It is a component of essential oils from plants like Solanum erianthum and Cassia siamea.

Butyl caproate

Butyl ester OF hexanoic acid

C10H20O2 (172.1463)

FA 5:1;O2

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

C5H8O4 (132.0423)

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

FA 12:2;O

{(1R,2S,3S)-3-hydroxy-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid

C12H20O3 (212.1412)

FA 7:3;O6

2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid

C7H8O8 (220.0219)

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.

FAL 15:0

13-methyltetradecanal

C15H30O (226.2297)

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)

5-hydroxypentanoyl-CoA

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 5-hydroxypentanethioate

C26H44N7O18P3S (867.1676)

5-hydroxypentanoyl-CoA is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 5-hydroxypentanoic acid. It is functionally related to a pentanoyl-CoA and a 5-hydroxypentanoic acid. It is a conjugate acid of a 5-hydroxypentanoyl-CoA(4-). 5-Hydroxypentanoyl-coenzyme A is a thioester compound that plays a crucial role in various metabolic pathways, particularly in the biosynthesis of certain natural products and in the metabolism of fatty acids. It is formed by the condensation of 5-hydroxypentanoic acid with coenzyme A (CoA), which is a carrier molecule involved in the transfer of acyl groups. Chemically, 5-hydroxypentanoyl-CoA consists of a 5-hydroxypentanoyl group, which is a five-carbon acyl chain with a hydroxyl group attached to the fifth carbon, and the CoA moiety. The CoA part of the molecule includes a pantothenic acid (vitamin B5) derivative, a pyrophosphate group, and an adenine nucleotide. The acyl group is attached to the thiol (-SH) group of the CoA via a thioester linkage, which is a high-energy bond. In biological systems, 5-hydroxypentanoyl-CoA is an intermediate in the biosynthesis of polyketides, a large class of natural products that include many pharmaceuticals and other bioactive compounds. It can also be involved in the metabolism of fatty acids, where it may be converted into other compounds or used as a substrate for energy production. The presence of the hydroxyl group in the acyl chain of 5-hydroxypentanoyl-CoA confers specific chemical properties and reactivity to the molecule, making it a versatile building block in various biochemical pathways. Its role in these pathways highlights the importance of understanding its synthesis, metabolism, and regulation in biological systems.

CoA 4:1;O3

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

C25H40N7O20P3S (883.1262)

CoA 4:0;O

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

C25H42N7O18P3S (853.152)

CoA 18:1;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 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)

Glutaryl-CoA

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

C26H42N7O19P3S (881.1469)

An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of glutaric acid.

pimeloyl-CoA

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

C28H46N7O19P3S (909.1782)

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

CoA 8:1

(2E)-octenoyl-coenzyme A;2,3-trans-octenoyl coenzyme A;2E-octenoyl-CoA;2E-octenoyl-coenzyme A;oct-2-trans-enoyl-CoA;oct-trans-2-enoyl-CoA;trans-2-octenoyl-coenzyme A;trans-oct-2-enoyl-coenzyme A

C29H48N7O17P3S (891.204)

CoA 22:6

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.

ST 28:4;O

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

C28H42O (394.3235)

ST 19:2;O2

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

C19H28O2 (288.2089)

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

ST 21:2;O4

(5S,8S,9S,10S,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

C21H32O4 (348.23)

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

p-menthane-3,8-diol

(1R,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol;(1R,3R,4R)-2-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol;(1R,3R,4R)-p-menthane-3,8-diol

C10H20O2 (172.1463)

D019141 - Respiratory System Agents > D005100 - Expectorants

beta-Cubebene

C15H24 (204.1878)

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

Neurosporene

C40H58 (538.4538)

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

delta-Carotene

C40H56 (536.4382)

All-trans-hexaprenyl diphosphate

(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl trihydrogen diphosphate

C30H52O7P2 (586.3188)

Oxyanin B

Oxyayanin B

C18H16O8 (360.0845)

A trihydroxyflavone that is flavone substituted by hydroxy groups at positioms 5, 6 and 3 and methoxy groups at positions 3, 7 and 4 respectively.

carthamidin

4,5,7,8-TETRAHYDROXYFLAVANONE

C15H12O6 (288.0634)

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

2,6-DIMETHYLNAPHTHALENE

C12H12 (156.0939)

7β-Eplerenone Impurity

(7beta,11alpha,17alpha)-9,11-Epoxy-17-hydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic acid gamma-lactone methyl ester

C24H30O6 (414.2042)

Ethyl trifluoroacetate

C4H5F3O2 (142.0242)

L-Arabinopyranose

beta-D-Arabinopyranose

C5H10O5 (150.0528)

The six-membered ring form of L-arabinose. A D-arabinopyranose with beta-configuration at the anomeric position.

DL-Asparagine

C4H8N2O3 (132.0535)

3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid

C7H10O5 (174.0528)

A cyclohexenecarboxylic acid that is 1-cyclohexene-1-carboxylic acid carrying three hydroxy substituents at positions 3, 4 and 5.

3-(1H-indol-3-yl)-2-(methylamino)propanoic acid

C12H14N2O2 (218.1055)

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

C18H23NO4 (317.1627)

isopropyl (4S)-4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

C17H18N4O5 (358.1277)

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

C18H23NO4 (317.1627)

90-29-9

4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-7-hydroxy-

C16H10O5 (282.0528)

rishitin

InChI=1\C14H22O2\c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10\h9-10,13-16H,1,4-7H2,2-3H3\t9-,10+,13+,14+\m0\s

C14H22O2 (222.162)

tridecanol

4-01-00-01860 (Beilstein Handbook Reference)

C13H28O (200.214)

AI3-06129

n-Caproic acid n-butyl ester

C10H20O2 (172.1463)

CHEBI:299

6-Octenal, 3,7-dimethyl-, (theta)-

C10H18O (154.1358)

(R)-(+)-Citronellal, isolated from citrus, lavender and eucalyptus oils, is a monoterpenoid and main component of citronellal oil with a distinct lemon scent. A flavouring agent. Used for insect repellent and antifungal properties[1][2]. (R)-(+)-Citronellal, isolated from citrus, lavender and eucalyptus oils, is a monoterpenoid and main component of citronellal oil with a distinct lemon scent. A flavouring agent. Used for insect repellent and antifungal properties[1][2].

75-86-5

Acetone cyanohydrin, stabilized [UN1541] [Poison]

C4H7NO (85.0528)

CHEBI:17302

EINECS 220-435-1

C15H30O (226.2297)

CHEBI:46996

(2R,3S,4R,5R)-tetrahydropyran-2,3,4,5-tetrol

C5H10O5 (150.0528)

586-81-2

Cyclohexanol, 1-methyl-4-(1-methylethylidene)-

C10H18O (154.1358)

472-92-4

(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethyl-cyclohexene

C40H56 (536.4382)

Oxyayanin B

4H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-

C18H16O8 (360.0845)

FR-0256

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

C7H6N4S (178.0313)

AI3-36458

trans-10-Octadecenoic acid

C18H34O2 (282.2559)

Pentanoyl-CoA

C26H44N7O17P3S (851.1727)

zeaxanthin bis(beta-D-glucoside)

C52H76O12 (892.5336)

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

Decaline

C26H31NO5 (437.2202)

N-Acetyl-ala-ala-ala-methylester

C12H21N3O5 (287.1481)

1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine

C32H60NO10P (649.3955)

(7R,8Z)-bacteriochlorophyll b

C55H72MgN4O6 (908.5302)

Digalacturonic acid

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

C12H18O13 (370.0747)

Pikrotin

3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1a alpha,2a beta,3beta,6beta,6a beta,8aS*,8b beta,9S*))-

C15H18O7 (310.1052)

Picrotin is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has a role as a plant metabolite. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone, a diol and a picrotoxane sesquiterpenoid. It is functionally related to a picrotoxinin. Picrotin is a natural product found in Dendrobium moniliforme and Anamirta cocculus with data available. An organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2].

Didrovaltrat

Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2-oxiran)-1-yl ester, (1S-(1-alpha,4a-alpha,6-alpha,7-beta,7a-alpha))-

C22H32O8 (424.2097)

CYCLOPENTANOL

C5H10O (86.0732)

1,4-DITHIANE

C4H8S2 (120.0067)

paramethadione (500 mg)

C7H11NO3 (157.0739)

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

fluphenazine enanthate

C29H38F3N3O2S (549.2637)

(1S,2S,4R)-Limonene-1,2-diol

C10H18O2 (170.1307)

Glurate

4-Acetylbutyric acid

C6H10O3 (130.063)

DILOXANIDE FUROATE

C14H11Cl2NO4 (327.0065)

D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents

Menthyl acetate

(-)-Menthyl Acetate

C12H22O2 (198.162)

?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].

11-Aminoundecanoic acid

C11H23NO2 (201.1729)

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

2-HYDROXYETHYL PHOSPHONIC ACID

(2-Hydroxyethyl)phosphonic acid

C2H7O4P (126.0082)

2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-

C10H18O2 (170.1307)

AMMELIDE

C3H4N4O2 (128.0334)

gamma-Terpineol

C10H18O (154.1358)

3-Dehydroretinal

C20H26O (282.1984)

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

2,3-dihydroxy-3-methylbutanoic acid

C5H10O4 (134.0579)

2-acetyllactic acid

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

C5H8O4 (132.0423)

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

2-hydroxy-3-oxopropanoic acid

C3H4O4 (104.011)

butirosin A

C21H41N5O12 (555.2752)

A butirosin that consists of neamine in which is substituted at position 2 by a beta-D-xylofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobutyryl group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

Lubimin

C15H24O2 (236.1776)

A vetispirane sesquiterpenoid that consists of (2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane bearing a formyl substituent at position 6.

sulfopyruvate

C3H4O6S (167.9729)

Isodeoxycholic acid

C24H40O4 (392.2926)

Oxalosuccinic acid

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

C6H6O7 (190.0114)

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

D-Arabinono-1,4-lactone

C5H8O5 (148.0372)

2,3-cyclic ump

C9H11N2O8P (306.0253)

A 2,3-cyclic pyrimidine nucleotide in which uridine is the parent nucleoside.

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.

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)

N-Acetylneuraminic acid 9-phosphate

C11H20NO12P (389.0723)

Isoglutamic acid

3-Aminopentanedioic acid

C5H9NO4 (147.0532)

A 1,5-dicarboxylic acid compound having a 3-amino substituent. It has been isolated from the extracts of the algae, Chondria armata.

Ro 61-8048

3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide

C17H15N3O6S2 (421.0402)

Pantoic acid

D-pantoic acid

C6H12O4 (148.0736)

10-Formyldihydrofolate

C20H21N7O7 (471.1502)

O-Phosphohomoserine

C4H10NO6P (199.0246)

Methylimidazole acetaldehyde

1-Methylimidazole-4-acetaldehyde

C6H8N2O (124.0637)

2-aceto-2-hydroxybutanoate

C6H10O4 (146.0579)

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.

(S)-3-Hydroxydecanoyl-CoA

C31H54N7O18P3S (937.2459)

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

trans-oct-2-enoyl-CoA

C29H48N7O17P3S (891.204)

An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-oct-2-enoic acid.

Phosphoguanidinoacetate

C3H8N3O5P (197.0202)

(S)-Ureidoglycolate

C3H6N2O4 (134.0328)

5-Phospho-beta-D-ribosylamine

C5H12NO7P (229.0351)

The beta-anomer of 5-phospho-D-ribosylamine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

1D-Myo-inositol 3,4-bisphosphate

C6H14O12P2 (339.9961)

(-)-7-Epi-alpha-selinene

C15H24 (204.1878)

An isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic with (2S,4aR,8aR)-configuration.

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

C12H16N4O7 (328.1019)

2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid

C7H8O8 (220.0219)

1-Deoxy-D-xylulose

C5H10O4 (134.0579)

(+)-cucurbic acid

3ALPHA-HYDROXY-2BETA-(2Z-PENTENYL)-CYCLOPENTANE-1BETA-ACETIC ACID

C12H20O3 (212.1412)

(1R,2S)-1,2-Dihydronaphthalene-1,2-diol

(1R,2S)-cis-1,2-Dihydro-1,2-naphthalenediol

C10H10O2 (162.0681)

The cis-1,2-dihydronaphthalene-1,2-diol with a (1R,2S)-configuration.

(S)-Norcoclaurine

C16H17NO3 (271.1208)

2beta,3beta,5beta,14,20,22R,25-heptahydroxycholest-7-en-6-one

C27H44O8 (496.3036)

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.

(+)-N-Methylpseudoephedrine

(1s,2s)-(+)-n-methylpseudoephedrine

C11H17NO (179.131)

Raucaffricine

C27H32N2O8 (512.2159)

cis-2-hydroxypenta-2,4-dienoic acid

(2E)-2-hydroxypenta-2,4-dienoic acid

C5H6O3 (114.0317)

The cis-isomer of 2-hydroxypenta-2,4-dienoic acid.

(3S)-3-carboxy-3-hydroxypropanoyl-CoA

C25H40N7O20P3S (883.1262)

A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 3-carboxy group of (3S)-3-carboxy-3-hydroxypropanoic acid.

phosphonoacetaldehyde

C2H5O4P (123.9925)

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

Quercetin 3-sulfate

C15H10O10S (381.9995)

Pollinastanol

C28H48O (400.3705)

pentanoyl-CoA

C26H44N7O17P3S (851.1727)

A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentanoic acid.

Dihydroxycarbazepine

C15H14N2O3 (270.1004)

Chloroeremomycin

Chloroorienticin A

C73H88Cl2N10O26 (1590.5248)

A complex glycopeptide antibiotic that is isolated from Amycolatopsis orientalis.

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

C7H8O6 (188.0321)

5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole

C18H20Cl2N2O3 (382.0851)

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

C7H6O7 (202.0114)

3O-acetylplatycodin D

C59H94O29 (1266.588)

A natural product found in Platycodon grandiflorum.

Proclavaminic acid

C8H14N2O4 (202.0954)

Deoxy-5-methylcytidylic acid

C10H16N3O7P (321.0726)

Fernenol

C30H50O (426.3861)

Calystegin b2

C7H13NO4 (175.0845)

3-O-Acetylhamayne

C18H19NO5 (329.1263)

Deoxyguanidinoproclavaminic acid

C9H16N4O3 (228.1222)

N2-(Carboxyethyl)-L-arginine

C9H18N4O4 (246.1328)

(3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione

C6H8O5 (160.0372)

5beta-Pregnane-3alpha,21-diol-11,20-dione

C21H32O4 (348.23)

Clavaminic acid

C8H10N2O4 (198.0641)

Calystegin A3

C7H13NO3 (159.0895)

(+)-galbacin

C20H20O5 (340.1311)

Amidinoproclavaminic acid

C9H16N4O4 (244.1171)

CID 5281366

C36H36O10 (628.2308)

(E)-2-Butenyl-4-methyl-threonine

C9H17NO3 (187.1208)

Ethyl 2-chloro-3-[4-(2-methyl-2-phenylpropoxy)phenyl]propanoate

C21H25ClO3 (360.1492)

2-Phospho-5-adenylyl sulfate

C10H15N5O13P2S (506.9862)

Phenyl salicylate

C13H10O3 (214.063)

D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals ATC code: G04BX12

S(-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole

1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol

C13H24N4O3S (316.1569)

Episterol

(3beta,5alpha)-Ergosta-7,24(28)-dien-3-ol

C28H46O (398.3548)

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

Fluoroacetaldehyde

C2H3FO (62.0168)

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.

3,4-Dehydrolycopene

all-trans-3,4-didehydrolycopene

C40H54 (534.4225)

Dimethyl adipate

Dimethyl hexanedioate

C8H14O4 (174.0892)

4-Undecanolide

Gamma-undecalactone

C11H20O2 (184.1463)

2,2-Dichloroacetaldehyde

C2H2Cl2O (111.9483)

Butyl hexanoate

n-Caproic acid n-butyl ester

C10H20O2 (172.1463)

A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with butan-1-ol. It is a volatile compound found in apples and peaches.

CYCLOHEXYL ACETATE

C8H14O2 (142.0994)

PCB 155

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

C12H4Cl6 (357.8444)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

linseed oil fatty acids

trans-10-Octadecenoic acid

C18H34O2 (282.2559)

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

alpha-D-Glucopyranoside, beta-D-fructofuranosyl

C12H22O11 (342.1162)

1-NAPHTHYLHYDROXYLAMINE

N-Hydroxy-1-aminonaphthalene

C10H9NO (159.0684)

gamma-Glutamyl-Se-methylselenocysteine

C9H16N2O5Se (312.0224)

A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of Se-methylselenocysteine.

Desdimethyltamoxifen

N,N-Didesmethyltamoxifen

C24H25NO (343.1936)

EMDP

2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline

C19H21N (263.1674)

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

C20H28N2O5S (408.1719)

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

Alcophosphamide

C7H17Cl2N2O3P (278.0354)

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

3,5-Cyclohexadiene-1,2-diol

C6H8O2 (112.0524)

1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine

1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine

C24H52NO6P (481.3532)

Supinidine

C8H13NO (139.0997)

Thiobenzamide S-oxide

C7H7NOS (153.0248)

1-Nitrosonaphthalene

C10H7NO (157.0528)

Homocitric acid

C7H10O7 (206.0427)

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