Subcellular Location: plasma membrane

Found 500 associated metabolites.

5433 associated genes. A1BG, AAK1, AAMP, ABCA1, ABCA12, ABCA13, ABCA2, ABCA3, ABCA4, ABCA5, ABCA6, ABCA7, ABCA8, ABCB1, ABCB11, ABCB4, ABCB5, ABCB6, ABCC1, ABCC10, ABCC11, ABCC2, ABCC3, ABCC4, ABCC5, ABCC6, ABCC8, ABCC9, ABCF2, ABCG1, ABCG2, ABCG4, ABCG5, ABCG8, ABHD12, ABHD17A, ABHD17B, ABHD17C, ABHD3, ABHD6, ABL1, ABL2, ABRA, ABTB1, ACE, ACE2, ACHE, ACIN1, ACKR1, ACKR2, ACKR3, ACKR4, ACP3, ACSBG1, ACSL3, ACSL4, ACSL5, ACSL6, ACTB, ACTG1, ACTL6A, ACTN1, ACTN3, ACTN4, ACVR1, ACVR1B, ACVR1C, ACVR2A, ACVR2B, ACVRL1, ADA, ADAM10, ADAM11, ADAM12, ADAM15, ADAM17, ADAM18, ADAM19, ADAM2, ADAM20, ADAM21, ADAM22, ADAM23, ADAM28, ADAM29, ADAM30, ADAM32, ADAM7, ADAM8, ADAM9, ADAP1, ADAP2, ADCY1, ADCY2, ADCY3, ADCY4, ADCY5, ADCY6, ADCY7, ADCY8, ADCY9, ADCYAP1R1, ADD1, ADD2, ADD3, ADGRA1, ADGRA2, ADGRA3, ADGRB1, ADGRB2, ADGRB3, ADGRD1, ADGRD2, ADGRE1, ADGRE2, ADGRE3, ADGRE4P, ADGRE5, ADGRF1, ADGRF5, ADGRG1, ADGRG2, ADGRG3, ADGRG4, ADGRG5, ADGRG6, ADGRG7, ADGRL1, ADGRL2, ADGRL3, ADGRL4, ADGRV1, ADH1A, ADH1B, ADH1C, ADH7, ADI1, ADIPOR1, ADIPOR2, ADK, ADORA1, ADORA2A, ADORA2B, ADORA3, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, ADRB1, ADRB2, ADRB3, ADRM1, AFAP1L2, AFDN, AGER, AGPAT2, AGPAT3, AGRN, AGTR1, AGTR2, AGTRAP, AHNAK, AHNAK2, AIFM2, AIG1, AJAP1, AJM1, AJUBA, AKAP10, AKAP11, AKAP12, AKAP5, AKAP7, AKT1, AKT2, AKTIP, ALCAM, ALDH3A1, ALDH3B1, ALG10B, ALK, ALKAL1, ALKAL2, ALOX15, ALOX15B, ALPG, ALPI, ALPL, ALPP, AMACR, AMBP, AMER1, AMER2, AMER3, AMHR2, AMIGO2, AMN, AMOT, AMOTL1, AMOTL2, AMPH, ANGPT1, ANK1, ANK2, ANK3, ANKH, ANKRD13A, ANKRD13B, ANKRD13D, ANKRD20A1, ANKRD24, ANKRD27, ANKS1B, ANKS4B, ANO1, ANO10, ANO2, ANO3, ANO4, ANO5, ANO6, ANO7, ANO8, ANO9, ANOS1, ANPEP, ANTXR1, ANTXR2, ANTXRL, ANXA1, ANXA10, ANXA11, ANXA13, ANXA2, ANXA2P2, ANXA3, ANXA4, ANXA7, ANXA8, ANXA9, AOC1, AOC2, AOC3, AP1M1, AP2A1, AP2A2, AP2B1, AP2M1, AP2S1, APBA1, APBA2, APBA3, APBB1, APBB1IP, APC, APCDD1, APCDD1L, APH1A, APH1B, APLNR, APLP1, APLP2, APOA1, APOB, APOBR, APOE, APOLD1, APP, APPL1, APPL2, AQP1, AQP10, AQP11, AQP2, AQP3, AQP4, AQP5, AQP6, AQP7, AQP7B, AQP8, AQP9, AR, ARAP1, ARAP3, ARC, ARF1, ARF3, ARF4, ARF5, ARF6, ARFGAP2, ARFIP2, ARHGAP10, ARHGAP15, ARHGAP17, ARHGAP18, ARHGAP19, ARHGAP21, ARHGAP33, ARHGAP35, ARHGAP45, ARHGAP5, ARHGDIG, ARHGEF1, ARHGEF11, ARHGEF18, ARHGEF25, ARHGEF28, ARHGEF39, ARHGEF40, ARHGEF5, ARHGEF7, ARID1B, ARID2, ARID4A, ARL14EP, ARL4A, ARL4C, ARL4D, ARL6, ARL6IP5, ARL8A, ARMC12, ARRB1, ARRB2, ARRDC1, ARRDC2, ARRDC3, ARRDC4, ARRDC5, ART1, ART3, ART4, ARVCF, ASAH2, ASAP2, ASGR1, ASGR2, ASIC1, ASIC2, ASIC3, ASIC4, ASIC5, ASPH, ASPSCR1, ASTL, ATAD3B, ATIC, ATP10A, ATP10B, ATP10D, ATP11A, ATP11B, ATP11C, ATP12A, ATP13A4, ATP13A5, ATP1A1, ATP1A2, ATP1A3, ATP1A4, ATP1B1, ATP1B2, ATP1B3, ATP1B4, ATP23, ATP2A2, ATP2B1, ATP2B2, ATP2B3, ATP2B4, ATP2C1, ATP2C2, ATP4A, ATP4B, ATP5F1A, ATP5F1B, ATP5PO, ATP6AP1, ATP6AP2, ATP6V0A1, ATP6V0A2, ATP6V0A4, ATP6V0B, ATP6V0C, ATP6V1A, ATP6V1B2, ATP6V1C1, ATP6V1D, ATP6V1E1, ATP6V1F, ATP6V1G1, ATP6V1G3, ATP6V1H, ATP7A, ATP7B, ATP8A1, ATP8A2, ATP8B1, ATP8B2, ATP8B3, ATP8B4, ATP9A, ATP9B, ATR, ATRAID, ATRN, ATXN10, ATXN3, AVPR1A, AVPR1B, AVPR2, AXIN1, AXIN2, AXL, B2M, B3GNT3, B4GALT1, BACE1, BACE2, BAG4, BAIAP2, BAIAP2L1, BAIAP2L2, BAIAP3, BAMBI, BAP1, BASP1, BCAM, BCAP31, BCHE, BCL3, BCORL1, BCR, BCRP1, BDKRB1, BDKRB2, BEST1, BEST2, BEST3, BEST4, BFAR, BFSP1, BFSP2, BICD2, BIN1, BIN2, BLK, BLNK, BLTP1, BLTP2, BLVRB, BMF, BMP2, BMPR1A, BMPR1B, BMPR2, BMX, BOC, BORCS5, BRAF, BRAP, BRCA1, BRI3, BRPF1, BRS3, BSG, BSND, BST1, BST2, BTBD17, BTC, BTF3, BTK, BTLA, BTN1A1, BTN2A1, BTN2A2, BTN3A1, BTN3A2, BTN3A3, BTNL2, BTNL8, BTNL9, BVES, C10orf90, C11orf24, C14orf180, C15orf62, C16orf92, C19orf33, C1orf116, C1orf210, C1QBP, C1QTNF1, C1QTNF5, C2CD2L, C2CD5, C2orf88, C3, C3AR1, C3orf52, C4A, C4B, C4B_2, C4BPA, C4BPB, C5AR1, C5AR2, C6, C6orf89, C7, C8A, C8B, C8G, C9, CA12, CA14, CA2, CA4, CA9, CABP1, CABP2, CABP7, CACFD1, CACNA1A, CACNA1B, CACNA1C, CACNA1D, CACNA1E, CACNA1G, CACNA1H, CACNA1I, CACNA1S, CACNA2D1, CACNA2D2, CACNB1, CACNB2, CACNB4, CACNG1, CACNG2, CACNG3, CACNG4, CACNG6, CACNG7, CACNG8, CAD, CADM1, CADM2, CADM3, CALCR, CALCRL, CALD1, CALHM1, CALHM2, CALHM3, CALHM4, CALHM5, CALHM6, CALM1, CALM2, CALM3, CALN1, CALY, CAMK1G, CAMKV, CANT1, CAP1, CAP2, CAPN1, CAPN10, CAPN2, CAPN3, CAPNS1, CAPNS2, CAPRIN2, CAPS, CARD11, CARD14, CARD9, CARMIL1, CARMIL2, CARMIL3, CASK, CASP1, CASP4, CASR, CATIP, CATSPER1, CATSPER2, CATSPER3, CATSPER4, CATSPERB, CATSPERD, CATSPERG, CAV1, CAV2, CAV3, CAVIN1, CAVIN2, CAVIN4, CBARP, CBL, CBLB, CBLC, CC2D1A, CCDC124, CCDC198, CCDC25, CCDC70, CCDC8, CCDC88A, CCKAR, CCKBR, CCN2, CCNT2, CCNY, CCNYL1, CCNYL2, CCNYL3, CCR1, CCR10, CCR2, CCR3, CCR4, CCR5, CCR6, CCR7, CCR8, CCR9, CCRL2, CD101, CD109, CD14, CD151, CD160, CD163, CD164, CD177, CD180, CD19, CD1A, CD1B, CD1C, CD1D, CD1E, CD2, CD200, CD200R1, CD207, CD209, CD22, CD226, CD244, CD247, CD27, CD274, CD28, CD2AP, CD300A, CD300C, CD300E, CD300H, CD300LB, CD300LD, CD300LF, CD300LG, CD320, CD33, CD34, CD36, CD37, CD38, CD3D, CD3E, CD3G, CD4, CD40, CD40LG, CD44, CD46, CD47, CD48, CD5, CD52, CD53, CD55, CD58, CD59, CD5L, CD6, CD63, CD68, CD69, CD7, CD70, CD72, CD74, CD79A, CD79B, CD80, CD81, CD82, CD83, CD84, CD86, CD8A, CD8B, CD8B2, CD9, CD93, CD96, CD99, CD99L2, CDAN1, CDC42, CDC42BPB, CDC42EP1, CDC42EP2, CDC42EP3, CDC42EP4, CDC42EP5, CDC42SE1, CDC42SE2, CDCA4, CDCP1, CDH1, CDH10, CDH11, CDH12, CDH13, CDH15, CDH16, CDH17, CDH18, CDH19, CDH2, CDH20, CDH22, CDH23, CDH24, CDH26, CDH3, CDH4, CDH5, CDH6, CDH7, CDH8, CDH9, CDHR1, CDHR2, CDHR3, CDHR4, CDHR5, CDIPT, CDK14, CDK16, CDK5, CDK5R1, CDK5R2, CDK7, CDON, CDSN, CDV3, CEACAM1, CEACAM20, CEACAM3, CEACAM4, CEACAM5, CEACAM6, CEACAM7, CEACAM8, CEBPE, CELSR1, CELSR2, CELSR3, CEMIP, CEMIP2, CEP112, CEP295, CERCAM, CERK, CFAP157, CFAP410, CFAP418, CFAP65, CFAP95, CFB, CFC1, CFTR, CGAS, CGN, CHD1L, CHIC1, CHIC2, CHL1, CHMP1A, CHMP1B, CHMP2A, CHMP2B, CHMP3, CHMP4A, CHMP4B, CHMP4C, CHMP5, CHMP6, CHMP7, CHP1, CHP2, CHRDL1, CHRFAM7A, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CHRNA1, CHRNA10, CHRNA2, CHRNA3, CHRNA4, CHRNA5, CHRNA6, CHRNA7, CHRNA9, CHRNB1, CHRNB2, CHRNB3, CHRNB4, CHRND, CHRNE, CHRNG, CIB1, CIP2A, CISH, CIZ1, CKAP4, CKAP5, CKB, CLASP2, CLCA1, CLCA2, CLCA3P, CLCA4, CLCN1, CLCN2, CLCN3, CLCN4, CLCN5, CLCNKA, CLCNKB, CLCP1, CLDN1, CLDN10, CLDN11, CLDN12, CLDN14, CLDN15, CLDN16, CLDN17, CLDN18, CLDN19, CLDN2, CLDN20, CLDN22, CLDN23, CLDN24, CLDN25, CLDN3, CLDN34, CLDN4, CLDN5, CLDN6, CLDN7, CLDN8, CLDN9, CLDND2, CLEC10A, CLEC12A, CLEC12B, CLEC1A, CLEC1B, CLEC2A, CLEC2B, CLEC2D, CLEC4A, CLEC4C, CLEC4D, CLEC4E, CLEC4G, CLEC4M, CLEC5A, CLEC6A, CLEC7A, CLECL1P, CLIC1, CLIC2, CLIC3, CLIC4, CLIC6, CLINT1, CLIP1, CLIP3, CLN3, CLNS1A, CLP1, CLPTM1, CLRN1, CLSTN3, CLTA, CLTB, CLTC, CLTRN, CMKLR1, CMKLR2, CMTM6, CMYA5, CNGA1, CNGA2, CNGA3, CNGA4, CNGB1, CNGB3, CNKSR1, CNKSR2, CNNM1, CNNM2, CNNM3, CNNM4, CNOT2, CNR1, CNR2, CNRIP1, CNST, CNTFR, CNTN1, CNTN2, CNTN3, CNTN4, CNTN5, CNTN6, CNTNAP3, COA6, COBL, COG3, COL13A1, COL17A1, COL23A1, COL25A1, COL26A1, COLEC12, COLQ, COMMD4, COMT, COPB1, COPRS, COQ8B, CORIN, CORO1A, CORO1B, CP, CPAMD8, CPD, CPE, CPEB3, CPLX4, CPM, CPN1, CPNE1, CPNE2, CPNE3, CPNE4, CPNE5, CPNE6, CPNE7, CPNE8, CPNE9, CPO, CPPED1, CPS1, CPTP, CR1, CR1L, CR2, CRACR2A, CRB1, CRB2, CRB3, CRCP, CRHR1, CRHR2, CRIM1, CRIPTO, CRIPTO3, CRK, CRLF2, CRLF3, CROCC, CRTAM, CRTC1, CSDE1, CSF1, CSF1R, CSF2, CSF2RA, CSF2RB, CSF3R, CSK, CSMD3, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, CSPG4, CSPG5, CST3, CSTP1, CT83, CTH, CTLA4, CTNNA1, CTNNAL1, CTNNB1, CTNND1, CTNND2, CTNS, CTSF, CTSG, CTSK, CTSL, CTSZ, CTTN, CUBN, CUL1, CUL3, CX3CL1, CX3CR1, CXADR, CXCL16, CXCR1, CXCR2, CXCR3, CXCR4, CXCR5, CXCR6, CYB5R1, CYBA, CYBB, CYBRD1, CYLD, CYP2C18, CYP2C19, CYP2C8, CYP2C9, CYP2W1, CYSLTR1, CYSLTR2, CYSTM1, CYTH1, CYTH2, CYTH3, CYTH4, DAAM1, DAB2, DAB2IP, DAG1, DAGLA, DAGLB, DAO, DAP3, DAPK1, DAPP1, DBNL, DCBLD1, DCBLD2, DCC, DCHS2, DCLK1, DCST1, DCSTAMP, DCT, DCUN1D3, DCXR, DDOST, DDR1, DDR2, DDX3X, DDX50, DEF6, DEGS1, DENND2B, DENND4C, DFFA, DGAT1, DGKA, DGKB, DGKD, DGKE, DGKG, DGKH, DGKI, DGKK, DGKQ, DGKZ, DHH, DIAPH1, DIO1, DIO2, DIO3, DIP2A, DIRAS1, DIRAS2, DIRAS3, DIS3L, DISP2, DKK1, DLC1, DLG1, DLG2, DLG3, DLG4, DLG5, DLGAP1, DLGAP2, DLGAP3, DLGAP4, DLL1, DLL3, DLL4, DMD, DMPK, DMTN, DNAAF1, DNAAF4, DNAJB4, DNAJC1, DNAJC13, DNAJC5, DNAJC9, DNAL4, DNER, DNM1, DNM2, DNM3, DOC2B, DOCK1, DOCK2, DOCK3, DOCK4, DOCK5, DOCK8, DOK1, DOK3, DOK7, DPEP1, DPEP3, DPP10, DPP4, DPP6, DPYSL2, DRC3, DRD1, DRD2, DRD3, DRD4, DRD5, DRG1, DRP2, DSC1, DSC2, DSC3, DSCAM, DSCAML1, DSG1, DSG2, DSG3, DSG4, DSP, DST, DTNA, DTNB, DTNBP1, DUOX1, DUOX2, DUOXA1, DUOXA2, DUSP15, DUSP22, DXO, DYNAP, DYNC1LI1, DYNC2H1, DYNLL1, DYNLL2, DYSF, DYTN, EBI3, ECE1, ECE2, ECEL1, ECSCR, EDA, EDA2R, EDAR, EDNRA, EDNRB, EEF1A1, EEF1AKMT4-ECE2, EEF2, EEPD1, EFNA1, EFNA2, EFNA3, EFNA4, EFNA4-EFNA3, EFNA5, EFNB1, EFNB2, EFNB3, EFR3A, EFR3B, EGF, EGFR, EHBP1, EHD1, EHD2, EHD3, EHD4, EIF2B1, EIF4A1, EIF5, ELAPOR1, ELAPOR2, ELMO1, EMB, EMCN, EMP1, EMP2, EMP3, ENAH, ENDOU, ENG, ENHO, ENO1, ENO2, ENO3, ENOX1, ENOX2, ENPEP, ENPP1, ENPP2, ENPP3, ENPP4, ENPP5, ENPP6, ENPP7, ENTHD1, ENTPD1, ENTPD2, ENTPD3, ENTPD6, ENTPD8, ENTREP1, EPB41, EPB41L1, EPB41L2, EPB41L3, EPB41L4B, EPB41L5, EPB42, EPCAM, EPGN, EPHA1, EPHA10, EPHA2, EPHA3, EPHA4, EPHA5, EPHA6, EPHA7, EPHA8, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, EPM2A, EPN1, EPN2, EPN3, EPOR, EPPK1, EPRS1, EPS15, EPS15L1, EPS8, EPS8L1, EPS8L2, EPS8L3, EQTN, ERAS, ERBB2, ERBB3, ERBB4, ERBIN, EREG, ERG, ERLIN2, ERMAP, ERRFI1, ERVFC1, ERVFRD-1, ERVK-10, ERVK-18, ERVK-19, ERVK-21, ERVK-24, ERVK-25, ERVK-5, ERVK-6, ERVK-7, ERVK-8, ERVK-9, ERVK13-1, ERVMER34-1, ERVPABLB-1, ERVS71-1, ERVW-1, ESAM, ESR1, ESYT1, ESYT2, ESYT3, ETS2, ETV6, EVA1A, EVI2B, EWSR1, EXO1, EXOC1, EXOC2, EXOC4, EXOC6, EXOC7, EXOC8, EXTL3, EZR, F10, F11, F11R, F12, F2, F2R, F2RL1, F2RL2, F2RL3, F3, F5, F7, F8, F9, FABP5, FADD, FADS2, FAIM2, FAM120A, FAM168B, FAM171A1, FAM174B, FANCG, FAP, FAS, FASLG, FASN, FAT1, FAT2, FAT3, FAT4, FBP2, FBXW7-AS1, FCAMR, FCAR, FCER1A, FCER1G, FCER2, FCGR1A, FCGR1BP, FCGR2A, FCGR2B, FCGR3A, FCGR3B, FCHO1, FCHO2, FCHSD2, FCMR, FCN1, FCRL1, FCRL5, FCRL6, FER, FER1L5, FERMT2, FES, FEZ1, FFAR1, FFAR2, FFAR3, FFAR4, FGA, FGB, FGD5, FGF10, FGF13, FGFBP1, FGFR1, FGFR2, FGFR3, FGFR4, FGFRL1, FGG, FGR, FHIT, FHL1, FHOD3, FILIP1, FLAD1, FLCN, FLG, FLNA, FLNB, FLNC, FLOT1, FLOT2, FLRT1, FLRT2, FLRT3, FLT1, FLT3, FLT3LG, FLT4, FLVCR1, FLVCR2, FMN1, FMN2, FMNL1, FMNL3, FN1, FNBP1, FNBP1L, FNDC4, FNDC5, FNTA, FOLH1, FOLH1B, FOLR1, FOLR2, FPR1, FPR2, FPR3, FRAS1, FREM2, FRK, FRMD6, FRMD7, FRMD8, FRMD8P1, FRMPD1, FRMPD2, FRMPD3, FRRS1L, FRS2, FRS3, FSHR, FTCD, FTO, FURIN, FUT1, FXYD1, FXYD2, FXYD3, FXYD4, FXYD5, FXYD6, FXYD7, FYB1, FYB2, FYN, FZD1, FZD10, FZD2, FZD3, FZD4, FZD5, FZD6, FZD7, FZD8, FZD9, GAA, GAB2, GABARAP, GABBR1, GABBR2, GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GABRR1, GABRR2, GABRR3, GAD1, GAD2, GAL, GAL3ST1, GALR1, GALR2, GALR3, GAP43, GAPDH, GAPT, GAPVD1, GAREM1, GAS1, GAS2L2, GAS7, GAS8, GBA2, GBP1, GBP4, GCA, GCG, GCGR, GCSAM, GDE1, GDF5, GDPD2, GDPD5, GEM, GFI1B, GFRA1, GFRA2, GFRA3, GFRA4, GFRAL, GGT1, GGT2P, GGT3P, GGT5, GGT7, GHR, GHRHR, GHSR, GIPR, GJA1, GJA10, GJA3, GJA4, GJA5, GJA8, GJA9, GJB2, GJB4, GJC1, GJD2, GJD3, GLDC, GLDN, GLG1, GLIPR1, GLIPR1L1, GLO1, GLP1R, GLP2R, GLRA1, GLRA2, GLRA3, GLRB, GLUL, GLYCAM1, GMIP, GML, GNA11, GNA12, GNA13, GNA14, GNA15, GNAI1, GNAI2, GNAI3, GNAL, GNAO1, GNAQ, GNAS, GNAT1, GNAT2, GNAT3, GNAZ, GNB1, GNB2, GNB3, GNG10, GNG11, GNG12, GNG13, GNG2, GNG3, GNG4, GNG5, GNG7, GNG8, GNRHR, GNRHR2, GOLGA4, GOLGA7B, GOLM1, GOLPH3, GOPC, GOT2, GP1BA, GP1BB, GP2, GP5, GP6, GP9, GPA33, GPAM, GPBAR1, GPBP1, GPC1, GPC2, GPC3, GPC4, GPC5, GPC6, GPD1L, GPER1, GPHN, GPIHBP1, GPM6A, GPM6B, GPNMB, GPR101, GPR107, GPR119, GPR12, GPR132, GPR135, GPR137B, GPR139, GPR141, GPR142, GPR143, GPR146, GPR148, GPR149, GPR15, GPR150, GPR151, GPR152, GPR153, GPR156, GPR157, GPR158, GPR160, GPR161, GPR162, GPR17, GPR171, GPR173, GPR174, GPR176, GPR18, GPR182, GPR183, GPR19, GPR20, GPR21, GPR22, GPR25, GPR26, GPR27, GPR3, GPR31, GPR32, GPR32P1, GPR33, GPR34, GPR35, GPR37, GPR37L1, GPR39, GPR4, GPR42, GPR45, GPR50, GPR52, GPR55, GPR6, GPR61, GPR62, GPR63, GPR65, GPR68, GPR75, GPR78, GPR82, GPR83, GPR84, GPR85, GPR87, GPR88, GPRC5A, GPRC5B, GPRC5C, GPRC5D, GPRC6A, GPRIN1, GPRIN2, GPRIN3, GPSM1, GPSM3, GRAMD1A, GRAMD1B, GRAMD1C, GRAMD2A, GRAP, GRAP2, GRB10, GRB14, GRB2, GRB7, GRIA1, GRIA2, GRIA3, GRIA4, GRID1, GRID2, GRIK1, GRIK2, GRIK3, GRIK4, GRIK5, GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D, GRIN3A, GRIN3B, GRIP1, GRIP2, GRK2, GRK3, GRK4, GRK5, GRK6, GRM1, GRM2, GRM3, GRM4, GRM5, GRM6, GRM7, GRM8, GRN, GRPR, GSDMA, GSDMB, GSDMC, GSDMD, GSDME, GSG1, GSG1L, GSG1L2, GSK3B, GSN, GUCA1B, GUCY2C, GUCY2D, GUCY2F, GYPA, GYPB, GYPC, GYPE, HARBI1, HAS1, HAS2, HAS3, HAUS7, HAVCR1, HBEGF, HBP1, HCAR1, HCAR2, HCAR3, HCFC2, HCK, HCLS1, HCN1, HCN2, HCN3, HCN4, HCRTR1, HCRTR2, HCST, HDAC11, HDAC3, HDLBP, HEPACAM, HEPH, HEPHL1, HERC2, HFE, HGSNAT, HHIP, HIC2, HIF3A, HINT1, HIP1R, HIPK3, HJV, HLA-A, HLA-B, HLA-C, HLA-DOA, HLA-DPA1, HLA-DPB1, HLA-DQA1, HLA-DQA2, HLA-DQB1, HLA-DQB2, HLA-DRA, HLA-DRB1, HLA-DRB3, HLA-DRB4, HLA-DRB5, HLA-E, HLA-F, HLA-G, HLA-H, HLTF, HM13, HMCN2, HMGB1, HMMR, HMOX2, HNRNPF, HOMER1, HOMER2, HOMER3, HPN, HPSE2, HRAS, HRG, HRH1, HRH2, HRH3, HRH4, HS3ST3B1, HS6ST1, HSD17B10, HSD17B8, HSP90AA1, HSP90AA2P, HSP90AA4P, HSP90AB1, HSP90AB2P, HSP90AB3P, HSP90AB4P, HSPA13, HSPA2, HSPA5, HSPA8, HSPD1, HSPG2, HTR1A, HTR1B, HTR1D, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C, HTR3A, HTR3B, HTR3C, HTR3D, HTR3E, HTR4, HTR5A, HTR6, HTR7, HTRA1, HTT, HVCN1, HYAL2, HYAL3, HYCC1, HYCC2, HYLS1, ICAM1, ICAM2, ICAM3, ICAM4, ICAM5, ICOS, ICOSLG, IFI6, IFIT5, IFITM1, IFITM10, IFITM2, IFITM3, IFITM5, IFNAR1, IFNAR2, IFNGR1, IFNGR2, IFNLR1, IGDCC4, IGF1R, IGF2R, IGFLR1, IGH, IGHA1, IGHA2, IGHD, IGHD1-1, IGHE, 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, IGKC, IGKJ1, IGKV1-12, IGKV1-13, IGKV1-16, IGKV1-17, IGKV1-27, IGKV1-33, IGKV1-37, IGKV1-39, IGKV1-5, IGKV1-6, IGKV1-8, IGKV1-9, IGKV1D-12, IGKV1D-13, IGKV1D-16, IGKV1D-17, IGKV1D-33, IGKV1D-37, IGKV1D-39, IGKV1D-42, IGKV1D-43, IGKV1D-8, IGKV2-24, IGKV2-28, IGKV2-29, IGKV2-30, IGKV2-40, IGKV2D-24, IGKV2D-26, IGKV2D-28, IGKV2D-29, IGKV2D-30, IGKV2D-40, IGKV3-11, IGKV3-15, IGKV3-20, IGKV3-7, IGKV3D-11, IGKV3D-15, IGKV3D-20, IGKV3D-7, IGKV4-1, IGKV5-2, IGKV6-21, IGKV6D-21, IGKV6D-41, IGLC1, IGLC2, IGLC3, IGLC6, IGLC7, IGLJ1, IGLV1-36, IGLV1-40, IGLV1-44, IGLV1-47, IGLV1-50, IGLV1-51, IGLV10-54, IGLV11-55, IGLV2-11, IGLV2-14, IGLV2-18, IGLV2-23, IGLV2-33, IGLV2-8, IGLV3-1, IGLV3-10, IGLV3-12, IGLV3-16, IGLV3-19, IGLV3-21, IGLV3-22, IGLV3-25, IGLV3-27, IGLV3-32, IGLV3-9, IGLV4-3, IGLV4-60, IGLV4-69, IGLV5-37, IGLV5-39, IGLV5-45, IGLV5-48, IGLV5-52, IGLV6-57, IGLV7-43, IGLV7-46, IGLV8-61, IGLV9-49, IGSF23, IGSF6, IGSF8, IGSF9, IHH, IL10RA, IL10RB, IL11RA, IL12RB1, IL12RB2, IL13RA1, IL15RA, IL16, IL17RA, IL17RB, IL17RC, IL17RD, IL17RE, IL18R1, IL18RAP, IL1R1, IL1R2, IL1RAP, IL1RAPL1, IL1RAPL2, IL1RL1, IL1RL2, IL1RN, IL20RA, IL20RB, IL21R, IL22RA1, IL22RA2, IL23R, IL27RA, IL2RA, IL2RB, IL2RG, IL31RA, IL36G, IL3RA, IL4R, IL5RA, IL6R, IL6ST, IL7R, IL9R, ILDR1, ILK, IMP3, IMP4, ING2, INPP4A, INPP5A, INPP5B, INPP5D, INPP5E, INPP5J, INPP5K, INSC, INSR, INSRR, IPCEF1, IQCJ-SCHIP1, IQGAP1, IQGAP2, IRAG2, IRAK1, IRAK2, IRAK3, IRAK4, IRS1, IRS2, IRS4, ISLR2, ITCH, ITFG1, ITGA1, ITGA10, ITGA11, ITGA2, ITGA2B, ITGA3, ITGA4, ITGA5, ITGA6, ITGA7, ITGA8, ITGA9, ITGAD, ITGAE, ITGAL, ITGAM, ITGAV, ITGAX, ITGB1, ITGB1BP1, ITGB2, ITGB3, ITGB4, ITGB5, ITGB6, ITGB7, ITGB8, ITGBL1, ITIH4, ITK, ITM2A, ITM2B, ITM2C, ITPR1, ITPR2, ITPR3, ITPRID2, ITPRIP, ITSN1, ITSN2, IYD, IZUMO1, IZUMO1R, IZUMO3, JADE1, JAG1, JAG2, JAK1, JAK2, JAK3, JAM2, JAM3, JAML, JMJD6, JOSD1, JPH1, JPH2, JPH3, JPH4, JPT2, JTB, JUP, KANK1, KANSL2, KARS1, KATNB1, KCMF1, KCNA1, KCNA10, KCNA2, KCNA3, KCNA4, KCNA5, KCNA6, KCNA7, KCNAB1, KCNAB2, KCNAB3, KCNB1, KCNB2, KCNC1, KCNC2, KCNC3, KCNC4, KCND1, KCND2, KCND3, KCNE1, KCNE2, KCNE3, KCNE5, KCNF1, KCNG1, KCNG2, KCNG3, KCNG4, KCNH1, KCNH2, KCNH3, KCNH4, KCNH5, KCNH6, KCNH7, KCNH8, KCNIP1, KCNIP2, KCNIP3, KCNIP4, KCNJ1, KCNJ10, KCNJ11, KCNJ12, KCNJ13, KCNJ14, KCNJ15, KCNJ16, KCNJ17, KCNJ18, KCNJ2, KCNJ3, KCNJ4, KCNJ5, KCNJ6, KCNJ8, KCNJ9, KCNK1, KCNK10, KCNK12, KCNK13, KCNK15, KCNK16, KCNK17, KCNK18, KCNK2, KCNK3, KCNK4, KCNK5, KCNK6, KCNK7, KCNK9, KCNMA1, KCNMB1, KCNMB2, KCNMB3, KCNMB4, KCNN1, KCNN2, KCNN3, KCNN4, KCNQ1, KCNQ2, KCNQ3, KCNQ4, KCNQ5, KCNS1, KCNS2, KCNS3, KCNT1, KCNT2, KCNU1, KCNV1, KCNV2, KCTD3, KCTD7, KDR, KEL, KIAA0319, KIAA0319L, KIAA1549, KIAA1755, KIR2DL1, KIR2DL2, KIR2DL3, KIR2DL4, KIR2DL5A, KIR2DL5B, KIR2DP1, KIR2DS1, KIR2DS2, KIR2DS3, KIR2DS4, KIR2DS5, KIR3DL1, KIR3DL2, KIR3DL3, KIR3DP1, KIR3DS1, KIR3DX1, KIRREL1, KIRREL2, KIRREL3, KISS1R, KIT, KITLG, KL, KLB, KLC2, KLF9, KLHL41, KLHL7, KLK3, KLKB1, KLRB1, KLRC1, KLRC2, KLRC3, KLRD1, KLRF1, KLRF2, KLRG1, KLRK1, KMT2E, KNG1, KNSTRN, KNTC1, KRAS, KREMEN1, KREMEN2, KRIT1, KRT1, KRT19, KSR2, KTN1, L1CAM, LAG3, LAIR1, LAIR2, LAMP1, LAMP2, LAMP3, LAMP5, LAMTOR1, LAMTOR2, LAMTOR3, LANCL1, LANCL2, LANCL3, LAPTM4B, LAPTM5, LARGE1, LAT, LAT2, LAX1, LCK, LCP1, LCT, LDB2, LDLR, LDLRAD3, LDLRAP1, LGALS1, LGALS3, LGALS4, LGR4, LGR5, LGR6, LGSN, LHCGR, LHFPL2, LHFPL3, LHFPL4, LHFPL5, LIFR, LIG1, LIG3, LILRA1, LILRA2, LILRA3, LILRA4, LILRA5, LILRA6, LILRB1, LILRB2, LILRB3, LILRB4, LILRB5, LIM2, LIMA1, LIMD1, LIMD2, LIMS1, LIMS2, LIMS3, LIMS4, LIN7A, LIN7B, LIN7C, LINGO1, LIPH, LIPI, LITAF, LLGL1, LLGL2, LMAN2, LMBR1, LMBR1L, LMBRD1, LMBRD2, LNPEP, LNX2, LOC102723532, LOC102724971, LOC112267881, LOC112268384, LOC124900573, LOC124905359, LOC128966554, LOC128966728, LPAR1, LPAR2, LPAR3, LPAR4, LPAR5, LPAR6, LPCAT1, LPCAT2, LPL, LPP, LPXN, LRATD2, LRBA, LRCH4, LRFN1, LRFN2, LRFN3, LRFN4, LRIG1, LRIG2, LRIG3, LRP1, LRP10, LRP11, LRP12, LRP1B, LRP2, LRP3, LRP4, LRP5, LRP6, LRP8, LRPAP1, LRRC15, LRRC19, LRRC26, LRRC3, LRRC32, LRRC38, LRRC4, LRRC45, LRRC4B, LRRC4C, LRRC52, LRRC53, LRRC55, LRRC66, LRRC7, LRRC70, LRRC8A, LRRC8B, LRRC8C, LRRC8D, LRRC8E, LRRFIP1, LRRK1, LRRK2, LRRN1, LRRN4, LRTOMT, LSAMP, LSP1, LSR, LST1, LTA, LTB, LTB4R, LTB4R2, LTBR, LTF, LTK, LY6D, LY6E, LY6G6C, LY6G6D, LY6G6E, LY6G6F, LY6G6F-LY6G6D, LY6H, LY6K, LY6L, LY6S, LY75, LY9, LY96, LYN, LYNX1, LYPD1, LYPD2, LYPD3, LYPD4, LYPD5, LYPD6, LYPD6B, LYPD8, LYPLA1, LYSMD3, LYVE1, LZTS1, LZTS2, M6PR, MACF1, MADCAM1, MADD, MAEA, MAFA, MAG, MAGEA1, MAGED1, MAGEE1, MAGI1, MAGI2, MAGI3, MAGT1, MAL, MALL, MANBA, MANSC4, MAP1B, MAP2K1, MAP3K12, MAP3K7, MAP4, MAP4K5, MAPK1, MAPK10, MAPK3, MAPK8IP1, MAPK9, MAPKAP1, MAPT, MARCHF1, MARCHF2, MARCHF7, MARCKS, MARCKSL1, MARCO, MARK1, MARK2, MARK3, MARVELD1, MARVELD2, MAS1, MAS1L, MAST1, MAST2, MATK, MBLAC2, MBP, MC1R, MC2R, MC3R, MC4R, MC5R, MCAM, MCC, MCEMP1, MCF2L, MCHR1, MCHR2, MCOLN1, MCOLN2, MCOLN3, MDFIC, MDGA1, MDGA2, MDM2, ME1, ME2, ME3, MEGF10, MELK, MELTF, MEP1A, MEP1B, MERTK, MESD, MET, METAP2, MFAP3L, MFSD10, MFSD12, MFSD13A, MFSD2A, MFSD2B, MFSD5, MFSD6, MGA, MGAM, MGLL, MGRN1, MGST1, MGST2, MIB1, MIB2, MICA, MICAL1, MICAL3, MICALL2, MICB, MIEN1, MIF, MIGA1, MIGA2, MILR1, MINAR1, MINPP1, MIP, MISP, MLANA, MLC1, MLEC, MLKL, MLNR, MMD, MME, MMEL1, MMGT1, MMP14, MMP15, MMP16, MMP17, MMP2, MMP20, MMP24, MMP25, MOG, MORF4L2, MOSMO, MOSPD2, MPDZ, MPHOSPH8, MPIG6B, MPL, MPP1, MPP2, MPP3, MPP4, MPP7, MPZ, MPZL1, MPZL2, MPZL3, MR1, MRAP, MRAP2, MRAS, MRC1, MRGPRD, MRGPRE, MRGPRF, MRGPRG, MRGPRX1, MRGPRX2, MRGPRX3, MRGPRX4, MRPL42, MRPL44, MRPL58, MS4A1, MS4A10, MS4A12, MS4A13, MS4A14, MS4A15, MS4A18, MS4A2, MS4A3, MS4A4A, MS4A5, MS4A6A, MS4A6E, MS4A7, MS4A8, MSLN, MSMO1, MSN, MSR1, MSRA, MST1R, MTFR1, MTM1, MTMR1, MTNR1A, MTNR1B, MTUS1, MUC1, MUC12, MUC13, MUC15, MUC16, MUC17, MUC19, MUC2, MUC20, MUC21, MUC3A, MUC3B, MUC4, MUC5AC, MUC5B, MUC6, MUC7, MUCL1, MUCL3, MUSK, MVB12B, MYADM, MYCBP2, MYCBPAP, MYD88, MYH9, MYLIP, MYLK, MYMK, MYMX, MYO10, MYO16, MYO1A, MYO1B, MYO1C, MYO1D, MYO1E, MYO1F, MYO1G, MYO1H, MYO6, MYOF, MYOT, MYPN, NAA35, NAALAD2, NAALADL1, NAE1, NAIF1, NALCN, NALF1, NALF2, NAPA, NAT1, NAT2, NBEA, NBEAL2, NCAM1, NCAM2, NCEH1, NCF1, NCF2, NCF4, NCK1, NCKAP1L, NCL, NCMAP, NCOA1, NCR1, NCR2, NCR3, NCR3LG1, NCS1, NCSTN, NDC1, NDRG1, NDRG4, NDUFC2, NECAB2, NECAP1, NECAP2, NECTIN1, NECTIN2, NECTIN3, NECTIN4, NEDD4, NEDD9, NEGR1, NELFE, NEO1, NET1, NEU1, NEU3, NEU4, NEURL1, NEXN, NF1, NF2, NFAM1, NFASC, NFE2L2, NFKBIA, NFX1, NGFR, NHERF2, NHERF4, NIBAN1, NIBAN2, NID1, NID2, NIN, NINJ1, NINJ2, NIPA1, NIPA2, NIPAL4, NISCH, NKAIN1, NKAIN2, NKAIN3, NKAIN4, NKD1, NKD2, NKG7, NKTR, NLGN1, NLGN2, NLGN3, NLGN4X, NLGN4Y, NLN, NLRC4, NLRP6, NLRX1, NMB, NMBR, NMRK2, NMT1, NMT2, NMUR1, NMUR2, NOD1, NOD2, NOS1, NOS2, NOS3, NOSTRIN, NOTCH1, NOTCH2, NOTCH3, NOTCH4, NOX1, NOX3, NOX4, NOX5, NOXO1, NPAP1, NPBWR1, NPBWR2, NPC1, NPC1L1, NPDC1, NPFFR1, NPFFR2, NPHS1, NPHS2, NPR1, NPR2, NPR3, NPSR1, NPY1R, NPY2R, NPY4R, NPY4R2, NPY5R, NPY6R, NRAS, NRCAM, NRG1, NRG2, NRG3, NRG4, NRN1, NRN1L, NRP1, NRP2, NRROS, NRSN2, NRXN1, NRXN2, NRXN3, NSF, NSMF, NT5E, NTM, NTN4, NTNG1, NTNG2, NTRK1, NTRK2, NTRK3, NTSR1, NTSR2, NTT, NUBP1, NUBPL, NUCB2, NUMA1, NUMB, NUP35, OAS3, OATP1, OBSCN, OCLN, OCRL, OGT, OLFM4, OLR1, OMG, OPALIN, OPCML, OPN1LW, OPN1MW, OPN1MW2, OPN1MW3, OPN1SW, OPN3, OPN4, OPN5, OPRD1, OPRK1, OPRL1, OPRM1, OR10A2, OR10A3, OR10A4, OR10A5, OR10A6, OR10A7, OR10AC1, OR10AD1, OR10AG1, OR10C1, OR10D3, OR10D4P, OR10G2, OR10G3, OR10G4, OR10G6, OR10G7, OR10G8, OR10G9, OR10H1, OR10H2, OR10H3, OR10H4, OR10H5, OR10J1, OR10J3, OR10J4, OR10J5, OR10J6P, OR10K1, OR10K2, OR10P1, OR10Q1, OR10R2, OR10S1, OR10T2, OR10V1, OR10W1, OR10X1, OR10Z1, OR11A1, OR11G2, OR11H1, OR11H12, OR11H2, OR11H4, OR11H6, OR11H7, OR11L1, OR12D1, OR12D2, OR12D3, OR13A1, OR13C2, OR13C3, OR13C4, OR13C5, OR13C6P, OR13C7, OR13C8, OR13C9, OR13D1, OR13F1, OR13G1, OR13H1, OR13J1, OR14A16, OR14A2, OR14C36, OR14I1, OR14J1, OR14K1, OR14L1, OR1A1, OR1A2, OR1B1, OR1C1, OR1D2, OR1D4, OR1D5, OR1E1, OR1E2, OR1E3, OR1F1, OR1F12P, OR1F2P, OR1G1, OR1I1, OR1J1, OR1J2, OR1J4, OR1K1, OR1L1, OR1L3, OR1L4, OR1L6, OR1L8, OR1M1, OR1N1, OR1N2, OR1P1, OR1Q1, OR1S1, OR1S2, OR2A1, OR2A12, OR2A14, OR2A2, OR2A25, OR2A42, OR2A5, OR2A7, OR2AE1, OR2AG1, OR2AG2, OR2AJ1, OR2AK2, OR2AP1, OR2AT4, OR2B11, OR2B2, OR2B3, OR2B6, OR2B8P, OR2C1, OR2C3, OR2D2, OR2D3, OR2F1, OR2F2, OR2G2, OR2G3, OR2G6, OR2H1, OR2H2, OR2I1P, OR2J1, OR2J2, OR2J3, OR2K2, OR2L13, OR2L2, OR2L3, OR2L5, OR2L8, OR2M2, OR2M3, OR2M4, OR2M5, OR2M7, OR2S2, OR2T1, OR2T10, OR2T11, OR2T12, OR2T2, OR2T27, OR2T29, OR2T3, OR2T33, OR2T34, OR2T35, OR2T4, OR2T5, OR2T6, OR2T7, OR2T8, OR2V1, OR2V2, OR2W1, OR2W3, OR2W5P, OR2W6P, OR2Y1, OR2Z1, OR3A1, OR3A2, OR3A3, OR3A4P, OR3A5P, OR4A15, OR4A16, OR4A47, OR4A4P, OR4A5, OR4A8, OR4B1, OR4C11, OR4C12, OR4C13, OR4C15, OR4C16, OR4C3, OR4C45, OR4C46, OR4C5, OR4C6, OR4D1, OR4D10, OR4D11, OR4D2, OR4D5, OR4D6, OR4D9, OR4E1, OR4E2, OR4F15, OR4F16, OR4F17, OR4F21, OR4F29, OR4F3, OR4F4, OR4F5, OR4F6, OR4K1, OR4K13, OR4K14, OR4K15, OR4K17, OR4K2, OR4K3, OR4K5, OR4L1, OR4M1, OR4M2, OR4M2B, OR4N2, OR4N4, OR4N4C, OR4N5, OR4P4, OR4Q2, OR4Q3, OR4S1, OR4S2, OR4X1, OR4X2, OR51A2, OR51A4, OR51A7, OR51B2, OR51B4, OR51B5, OR51B6, OR51C1P, OR51D1, OR51E1, OR51E2, OR51F1, OR51F2, OR51G1, OR51G2, OR51H1, OR51I1, OR51I2, OR51J1, OR51L1, OR51M1, OR51Q1, OR51S1, OR51T1, OR51V1, OR52A1, OR52A4P, OR52A5, OR52B2, OR52B4, OR52B6, OR52D1, OR52E1, OR52E2, OR52E4, OR52E5, OR52E6, OR52E8, OR52H1, OR52I1, OR52I2, OR52J3, OR52K1, OR52K2, OR52L1, OR52L2P, OR52M1, OR52N1, OR52N2, OR52N4, OR52N5, OR52P1, OR52R1, OR52W1, OR52Z1P, OR56A1, OR56A3, OR56A4, OR56A5, OR56B1, OR56B2P, OR56B4, OR5A1, OR5A2, OR5AC1, OR5AC2, OR5AK2, OR5AK3P, OR5AL1, OR5AN1, OR5AP2, OR5AR1, OR5AS1, OR5AU1, OR5B12, OR5B17, OR5B2, OR5B21, OR5B3, OR5BS1P, OR5C1, OR5D13, OR5D14, OR5D16, OR5D18, OR5D3P, OR5F1, OR5G3, OR5H1, OR5H14, OR5H15, OR5H2, OR5H6, OR5H8, OR5I1, OR5J2, OR5K1, OR5K2, OR5K3, OR5K4, OR5L1, OR5L2, OR5M1, OR5M10, OR5M11, OR5M3, OR5M8, OR5M9, OR5P2, OR5P3, OR5T1, OR5T2, OR5T3, OR5V1, OR5W2, OR6A2, OR6B1, OR6B2, OR6B3, OR6C1, OR6C2, OR6C3, OR6C4, OR6C6, OR6C65, OR6C68, OR6C70, OR6C74, OR6C75, OR6C76, OR6F1, OR6J1, OR6K2, OR6K3, OR6K6, OR6M1, OR6N1, OR6N2, OR6P1, OR6Q1, OR6S1, OR6T1, OR6V1, OR6X1, OR6Y1, OR7A10, OR7A17, OR7A2P, OR7A5, OR7C1, OR7C2, OR7D2, OR7D4, OR7E24, OR7G1, OR7G2, OR7G3, OR8A1, OR8B12, OR8B2, OR8B3, OR8B4, OR8B8, OR8D1, OR8D2, OR8D4, OR8G1, OR8G2P, OR8G3P, OR8G5, OR8H1, OR8H2, OR8H3, OR8I2, OR8J1, OR8J2, OR8J3, OR8K1, OR8K3, OR8K5, OR8S1, OR8U1, OR8U3, OR8U8, OR8U9, OR9A1P, OR9A2, OR9A4, OR9G1, OR9G4, OR9G9, OR9I1, OR9K2, OR9Q1, OR9Q2, ORAI1, ORAI2, ORAI3, ORMDL3, OSBP, OSBP2, OSBPL1A, OSBPL2, OSBPL3, OSBPL6, OSBPL7, OSCAR, OSCP1, OSMR, OTOA, OTOP1, OTOP2, OTOP3, OXER1, OXGR1, OXTR, P2RX1, P2RX2, P2RX3, P2RX4, P2RX5, P2RX6, P2RX7, P2RY1, P2RY10, P2RY11, P2RY12, P2RY13, P2RY14, P2RY2, P2RY4, P2RY6, P2RY8, P4HB, PACC1, PACSIN1, PACSIN2, PACSIN3, PAFAH1B2, PAG1, PAK1, PAK2, PAK3, PAK5, PALLD, PALM, PALM2AKAP2, PALM3, PALS1, PALS2, PAM, PANX1, PANX2, PANX3, PAQR5, PAQR6, PAQR7, PAQR8, PAQR9, PARD3, PARD6A, PARD6B, PARD6G, PARK7, PARM1, PARP14, PARVA, PARVB, PARVG, PATJ, PAWR, PCDH1, PCDH10, PCDH11X, PCDH11Y, PCDH12, PCDH15, PCDH17, PCDH18, PCDH19, PCDH20, PCDH7, PCDH8, PCDH9, PCDHA1, PCDHA10, PCDHA11, PCDHA12, PCDHA13, PCDHA2, PCDHA3, PCDHA4, PCDHA5, PCDHA6, PCDHA7, PCDHA8, PCDHA9, PCDHAC1, PCDHAC2, PCDHB1, PCDHB10, PCDHB11, PCDHB12, PCDHB13, PCDHB14, PCDHB15, PCDHB16, PCDHB18P, PCDHB2, PCDHB3, PCDHB4, PCDHB5, PCDHB6, PCDHB7, PCDHB8, PCDHB9, PCDHGA1, PCDHGA10, PCDHGA11, PCDHGA12, PCDHGA2, PCDHGA3, PCDHGA4, PCDHGA5, PCDHGA6, PCDHGA7, PCDHGA8, PCDHGA9, PCDHGB1, PCDHGB2, PCDHGB3, PCDHGB4, PCDHGB5, PCDHGB6, PCDHGB7, PCDHGC3, PCDHGC4, PCDHGC5, PCP2, PCSK6, PCSK9, PDAP1, PDCD1, PDCD10, PDCD1LG2, PDE2A, PDE4A, PDE4D, PDE6A, PDE6B, PDE6C, PDE6G, PDE9A, PDGFC, PDGFRA, PDGFRB, PDIA6, PDK1, PDP1, PDPK1, PDPN, PDS5A, PDYN, PDZD2, PDZD7, PDZK1, PECAM1, PENK, PERP, PGAP6, PGR, PGRMC1, PHACTR2, PHB1, PHB2, PHEX, PHF7, PHKA1, PHKA2, PHKB, PHLDA3, PHLDB1, PHLDB2, PHLPP1, PHPT1, PI4K2A, PI4K2B, PI4KA, PIANP, PICALM, PICK1, PIEZO1, PIEZO2, PIGN, PIGR, PIGU, PIGY, PIK3AP1, PIK3C2A, PIK3C2B, PIK3C2G, PIK3CA, PIK3CB, PIK3CD, PIK3CG, PIK3IP1, PIK3R1, PIK3R5, PIK3R6, PILRA, PILRB, PIM1, PIP4K2A, PIP4K2B, PIP4K2C, PIP4P1, PIP4P2, PIP5K1A, PIP5K1B, PIP5K1C, PIP5KL1, PIPSL, PIRT, PJA2, PKD1, PKD1L3, PKD2, PKD2L1, PKN2, PKP1, PKP2, PKP3, PKP4, PLA2G2A, PLA2G2F, PLA2G3, PLA2G4C, PLA2G4E, PLA2G5, PLA2G6, PLA2R1, PLAAT3, PLAC4, PLAU, PLAUR, PLB1, PLCB4, PLCD1, PLCD3, PLCD4, PLCE1, PLCG1, PLCG2, PLCH1, PLCH2, PLD1, PLD2, PLEC, PLEK, PLEK2, PLEKHA1, PLEKHA2, PLEKHA4, PLEKHG4, PLEKHG4B, PLEKHG5, PLEKHH2, PLEKHM3, PLEKHN1, PLET1, PLG, PLGRKT, PLIN2, PLIN4, PLLP, PLP1, PLP2, PLPP1, PLPP2, PLPP3, PLPP4, PLPP5, PLPP6, PLPPR1, PLPPR2, PLPPR3, PLPPR4, PLPPR5, PLS1, PLS3, PLSCR1, PLSCR2, PLSCR3, PLSCR4, PLSCR5, PLXDC1, PLXNA1, PLXNA2, PLXNA3, PLXNA4, PLXNB1, PLXNB2, PLXNB3, PLXNC1, PLXND1, PMEL, PMEPA1, PMP22, PNISR, PNN, PNOC, PNPLA2, PODXL, PODXL2, POLE, PON2, POP1, POTED, POU2F3, PPAN-P2RY11, PPFIBP1, PPIL2, PPIP5K1, PPL, PPM1A, PPP1CA, PPP1R12A, PPP1R13B, PPP1R16A, PPP1R16B, PPP1R9B, PPP2CA, PPP2R5A, PPP3CA, PPP3CB, PPP4C, PPP5C, PPP6R3, PRAM1, PRAME, PRC1, PRCP, PRDX3, PREX1, PREX2, PRF1, PRG1, PRG2, PRG3, PRG4, PRICKLE3, PRIMA1, PRKACA, PRKACB, PRKAR1A, PRKAR1B, PRKAR2A, PRKAR2B, PRKCA, PRKCB, PRKCD, PRKCE, PRKCG, PRKCH, PRKCI, PRKCQ, PRKCZ, PRKD1, PRKD2, PRKD3, PRKG1, PRLHR, PRLR, PRMT8, PRND, PRNP, PROCR, PROKR1, PROKR2, PROM1, PROM2, PROS1, PRPH, PRPH2, PRR3, PRR4, PRR7, PRRC2A, PRRG1, PRRG2, PRRG4, PRRT2, PRSS12, PRSS21, PRSS27, PRSS41, PRSS42P, PRSS55, PRSS8, PRTG, PRTN3, PRX, PSAP, PSCA, PSEN1, PSEN2, PSENEN, PSG1, PSG11, PSG3, PSG4, PSG6, PSG7, PSG8, PSG9, PSKH1, PSMD10, PSTPIP1, PSTPIP2, PTAFR, PTCD3, PTCH1, PTCH2, PTCHD1, PTCHD3, PTEN, PTGDR, PTGDR2, PTGER1, PTGER2, PTGER3, PTGER4, PTGFR, PTGIR, PTH1R, PTH2R, PTK2, PTK2B, PTK6, PTK7, PTN, PTOV1, PTP4A1, PTP4A2, PTP4A3, PTPA, PTPN13, PTPN2, PTPN3, PTPN5, PTPN6, PTPRA, PTPRB, PTPRC, PTPRCAP, PTPRD, PTPRE, PTPRF, PTPRG, PTPRH, PTPRJ, PTPRK, PTPRM, PTPRN, PTPRN2, PTPRO, PTPRQ, PTPRR, PTPRS, PTPRT, PTPRU, PTPRZ1, PTPRZ2, PVR, PVRIG, PXDNL, PXK, PXN, QRFPR, QRICH1, QSOX2, RAB10, RAB11A, RAB12, RAB13, RAB14, RAB15, RAB17, RAB18, RAB19, RAB1C, RAB22A, RAB23, RAB24, RAB25, RAB26, RAB27B, RAB28, RAB29, RAB2B, RAB31, RAB33A, RAB35, RAB37, RAB38, RAB39A, RAB39B, RAB3A, RAB3B, RAB3C, RAB3D, RAB3GAP2, RAB40A, RAB40AL, RAB40B, RAB40C, RAB41, RAB42, RAB44, RAB4B, RAB5A, RAB5B, RAB5C, RAB6A, RAB7A, RAB8A, RAB8B, RAB9A, RAB9B, RABAC1, RABGAP1, RABGGTA, RABGGTB, RAC1, RAC2, RAC3, RACK1, RAET1E, RAET1G, RAET1L, RAF1, RALA, RALB, RALBP1, RALGAPA2, RALGDS, RALGPS1, RALGPS2, RAMP1, RAMP2, RAMP3, RANBP9, RANGRF, RAP1A, RAP1B, RAP1BL, RAP1GAP2, RAP2A, RAP2B, RAP2C, RAPGEF1, RAPGEF2, RAPGEF3, RAPGEF4, RAPGEF5, RAPGEF6, RAPGEFL1, RAPH1, RAPSN, RARA, RASA1, RASA4, RASA4B, RASD1, RASD2, RASGEF1A, RASGEF1B, RASGEF1C, RASGRF1, RASGRF2, RASGRP1, RASGRP2, RASGRP3, RASGRP4, RASL10A, RASL10B, RASL12, RASSF2, RASSF3, RBP1, RBP2, RBSN, RCC2, RCCD1, RCE1, RDH8, RDX, RECK, REEP2, RELL1, RELL2, RELN, RELT, REM1, REM2, REN, REPS1, REPS2, RER1, RERG, RET, RFC1, RFFL, RFT1, RFTN1, RFTN2, RGL1, RGL3, RGL4, RGMA, RGMB, RGP1, RGR, RGS1, RGS10, RGS11, RGS12, RGS13, RGS14, RGS16, RGS17, RGS18, RGS19, RGS2, RGS20, RGS21, RGS3, RGS4, RGS5, RGS6, RGS7, RGS8, RGS9, RHAG, RHBDF2, RHBDL1, RHBDL2, RHBG, RHCE, RHCG, RHD, RHEB, RHEBL1, RHEX, RHO, RHOA, RHOB, RHOBTB1, RHOBTB2, RHOC, RHOD, RHOF, RHOG, RHOH, RHOJ, RHOQ, RHOU, RHOV, RHPN2, RIC8A, RIC8B, RIF1, RILPL1, RIMBP2, RIMS1, RIN1, RIPK1, RIPK2, RIT1, RIT2, RNASEK, RND1, RND2, RND3, RNF114, RNF144A, RNF146, RNF167, RNF34, RNF43, RNF5, RNH1, RNPEP, ROBO1, ROBO2, ROBO3, ROBO4, ROCK1, ROCK2, ROM1, ROR1, ROR2, ROS1, RP2, RPE65, RPF1, RPGRIP1L, RPL36A, RPL36A-HNRNPH2, RPL36AL, RPS27A, RPS3, RPSA, RPSA2, RRAD, RRAS, RRAS2, RRH, RRP12, RRP8, RSC1A1, RTKN2, RTL8C, RTN3, RTN4, RTN4R, RTN4RL1, RTN4RL2, RTP1, RTP2, RXFP1, RXFP2, RXFP3, RXFP4, RXYLT1, RYK, RYR1, RYR2, S100A10, S100A12, S100A13, S100A16, S100A3, S100A6, S100A8, S100A9, S1PR1, S1PR2, S1PR3, S1PR4, S1PR5, SAMD8, SAMHD1, SAT1, SAT2, SCAMP1, SCAMP5, SCARA5, SCARB1, SCARB2, SCARF1, SCART1, SCFD1, SCFV, SCHIP1, SCN10A, SCN11A, SCN1A, SCN1B, SCN2A, SCN2B, SCN3A, SCN3B, SCN4A, SCN4B, SCN5A, SCN7A, SCN8A, SCN9A, SCNN1A, SCNN1B, SCNN1D, SCNN1G, SCRIB, SCTR, SCUBE1, SCUBE3, SDC1, SDC2, SDC3, SDC4, SDCBP, SDCBP2, SDE2, SDF4, SDHB, SDK1, SDK2, SECTM1, SELE, SELENOK, SELENOS, SELL, SELP, SELPLG, SEMA3A, SEMA3B, SEMA3C, SEMA3D, SEMA3E, SEMA3F, SEMA3G, SEMA4A, SEMA4B, SEMA4C, SEMA4D, SEMA4F, SEMA4G, SEMA5A, SEMA5B, SEMA6A, SEMA6B, SEMA6C, SEMA6D, SEMA7A, SEPHS1, SEPTIN2, SEPTIN5, SERINC1, SERINC3, SERINC5, SERPINA12, SERPINB10, SERPINB12, SERPINB2, SERPINB3, SERPINB4, SERPINB6, SERPINC1, SERPINE1, SEZ6, SEZ6L2, SFRP1, SGCB, SGCD, SGCE, SGCG, SGIP1, SGK1, SGMS1, SGMS2, SGPP1, SH2B1, SH2B2, SH2B3, SH3BGRL, SH3D19, SH3D21, SH3GL2, SH3KBP1, SH3TC2, SHANK1, SHANK2, SHANK3, SHB, SHC1, SHC2, SHC3, SHC4, SHH, SHROOM2, SI, SIDT1, SIDT2, SIGIRR, SIGLEC1, SIGLEC10, SIGLEC11, SIGLEC12, SIGLEC14, SIGLEC15, SIGLEC16, SIGLEC5, SIGLEC6, SIGLEC7, SIGLEC8, SIGLEC9, SIGLECL1, SIPA1, SIPA1L1, SIPA1L3, SIRPA, SIRPB1, SIRPB2, SIRPD, SIRPG, SIRT2, SIT1, SKAP1, SKAP2, SLA, SLA2, SLAMF1, SLAMF6, SLAMF7, SLC10A1, SLC10A2, SLC10A4, SLC10A6, SLC10A7, SLC11A1, SLC11A2, SLC12A1, SLC12A2, SLC12A3, SLC12A4, SLC12A5, SLC12A6, SLC12A7, SLC12A9, SLC13A1, SLC13A2, SLC13A3, SLC13A4, SLC13A5, SLC14A1, SLC14A2, SLC15A1, SLC15A2, SLC15A4, SLC16A1, SLC16A10, SLC16A11, SLC16A12, SLC16A13, SLC16A14, SLC16A2, SLC16A3, SLC16A4, SLC16A5, SLC16A6, SLC16A7, SLC16A8, SLC16A9, SLC17A1, SLC17A2, SLC17A3, SLC17A4, SLC17A5, SLC17A6, SLC17A7, SLC17A8, SLC18A2, SLC18A3, SLC19A1, SLC19A2, SLC19A3, SLC1A1, SLC1A2, SLC1A3, SLC1A4, SLC1A5, SLC1A6, SLC1A7, SLC20A1, SLC20A2, SLC22A1, SLC22A11, SLC22A12, SLC22A13, SLC22A14, SLC22A15, SLC22A16, SLC22A17, SLC22A18, SLC22A2, SLC22A23, SLC22A24, SLC22A3, SLC22A4, SLC22A5, SLC22A6, SLC22A7, SLC22A8, SLC23A1, SLC23A2, SLC24A1, SLC24A2, SLC24A3, SLC24A4, SLC25A11, SLC25A13, SLC25A14, SLC25A3, SLC25A31, SLC25A4, SLC25A5, SLC26A1, SLC26A10P, SLC26A11, SLC26A2, SLC26A3, SLC26A4, SLC26A5, SLC26A6, SLC26A7, SLC26A8, SLC26A9, SLC27A1, SLC27A2, SLC27A3, SLC27A4, SLC27A5, SLC27A6, SLC28A1, SLC28A2, SLC28A3, SLC29A1, SLC29A2, SLC29A3, SLC29A4, SLC2A1, SLC2A10, SLC2A11, SLC2A12, SLC2A13, SLC2A14, SLC2A2, SLC2A3, SLC2A4, SLC2A5, SLC2A6, SLC2A7, SLC2A8, SLC2A9, SLC30A1, SLC30A10, SLC30A2, SLC30A3, SLC30A4, SLC30A5, SLC30A8, SLC31A1, SLC31A2, SLC32A1, SLC33A1, SLC34A1, SLC34A2, SLC34A3, SLC35A1, SLC35G1, SLC35G2, SLC36A1, SLC36A2, SLC36A4, SLC38A1, SLC38A2, SLC38A3, SLC38A4, SLC38A5, SLC38A6, SLC39A1, SLC39A10, SLC39A11, SLC39A12, SLC39A14, SLC39A2, SLC39A3, SLC39A4, SLC39A5, SLC39A6, SLC39A8, SLC39A9, SLC3A1, SLC3A2, SLC40A1, SLC41A1, SLC41A2, SLC41A3, SLC43A1, SLC43A2, SLC44A1, SLC44A2, SLC44A3, SLC44A4, SLC44A5, SLC45A3, SLC46A1, SLC46A2, SLC47A1, SLC47A2, SLC48A1, SLC4A1, SLC4A10, SLC4A11, SLC4A1AP, SLC4A2, SLC4A3, SLC4A4, SLC4A5, SLC4A7, SLC4A8, SLC4A9, SLC50A1, SLC51A, SLC51B, SLC52A1, SLC52A2, SLC52A3, SLC5A1, SLC5A10, SLC5A11, SLC5A12, SLC5A2, SLC5A3, SLC5A4, SLC5A5, SLC5A6, SLC5A7, SLC5A8, SLC5A9, SLC6A1, SLC6A11, SLC6A12, SLC6A13, SLC6A14, SLC6A15, SLC6A16, SLC6A17, SLC6A18, SLC6A19, SLC6A2, SLC6A20, SLC6A3, SLC6A4, SLC6A5, SLC6A6, SLC6A7, SLC6A8, SLC6A9, SLC7A1, SLC7A10, SLC7A11, SLC7A14, SLC7A2, SLC7A3, SLC7A4, SLC7A5, SLC7A6, SLC7A7, SLC7A8, SLC7A9, SLC8A1, SLC8A2, SLC8A3, SLC8B1, SLC9A1, SLC9A2, SLC9A3, SLC9A4, SLC9A5, SLC9A6, SLC9A7, SLC9A9, SLC9B1, SLC9B2, SLC9C1, SLC9C2, SLCO1A2, SLCO1B1, SLCO1B3, SLCO1B3-SLCO1B7, SLCO1C1, SLCO2A1, SLCO2B1, SLCO3A1, SLCO4A1, SLCO4C1, SLCO5A1, SLIT1, SLITRK1, SLITRK2, SLITRK3, SLITRK4, SLITRK5, SLITRK6, SLMAP, SLURP2, SMAD3, SMAD7, SMAGP, SMAP1, SMIM1, SMIM23, SMIM43, SMIM9, SMO, SMPD1, SMPD2, SMPD3, SMPDL3B, SMURF1, SMURF2, SNAP23, SNAP25, SNAP29, SNAP47, SNCA, SNF8, SNTB2, SNTG2, SNUPN, SNX11, SNX15, SNX18, SNX20, SNX30, SNX33, SNX4, SNX9, SOCS6, SOCS7, SORBS1, SORBS2, SORCS3, SORL1, SORT1, SOS1, SOS2, SOX11, SPACA4, SPAM1, SPARC, SPART, SPG11, SPHK1, SPINT1, SPINT2, SPIRE1, SPIRE2, SPN, SPNS2, SPP1, SPPL2A, SPPL2B, SPPL3, SPRED1, SPRED2, SPRED3, SPRN, SPRY1, SPRY2, SPTA1, SPTAN1, SPTB, SPTBN1, SPTBN2, SPTBN4, SPTBN5, SRA1, SRC, SRGAP2, SRMS, SRPK1, SSH1, SSNA1, SSPN, SSTR1, SSTR2, SSTR3, SSTR4, SSTR5, ST14, ST6GALNAC6, ST7, ST8SIA2, STAB1, STAB2, STAG1, STAMBP, STAP2, STAR, STAT2, STAT3, STAU1, STAU2, STBD1, STEAP1, STEAP1B, STEAP2, STEAP3, STEAP4, STIM1, STIM2, STING1, STK10, STK16, STK17A, STK17B, STK32A, STOM, STOML1, STOML2, STOML3, STRA6, STRN3, STS, STX11, STX17, STX19, STX1A, STX1B, STX2, STX3, STX4, STX6, STX7, STX8, STXBP1, STXBP2, STXBP3, STXBP5, STXBP5L, STYK1, SUCLG2, SUCNR1, SULF1, SULF2, SUMO1, SURF2, SURF4, SUSD2, SUSD3, SUV39H1, SV2A, SV2B, SV2C, SVIL, SVIP, SWAP70, SYK, SYMPK, SYN2, SYNDIG1, SYNGAP1, SYNGR1, SYNJ2, SYNPO, SYPL1, SYT1, SYT10, SYT11, SYT12, SYT13, SYT15, SYT17, SYT2, SYT3, SYT4, SYT5, SYT6, SYT7, SYT8, SYT9, SYTL1, SYTL2, SYTL3, SYTL4, SYTL5, TAAR1, TAAR2, TAAR3P, TAAR5, TAAR6, TAAR8, TAAR9, TAB2, TAB3, TACC2, TACR1, TACR2, TACR3, TAMALIN, TAOK3, TAP1, TAPBPL, TARM1, TAS1R1, TAS1R2, TAS1R3, TAS2R1, TAS2R10, TAS2R13, TAS2R14, TAS2R16, TAS2R19, TAS2R20, TAS2R2P, TAS2R3, TAS2R30, TAS2R31, TAS2R33, TAS2R36, TAS2R38, TAS2R39, TAS2R4, TAS2R40, TAS2R41, TAS2R42, TAS2R43, TAS2R45, TAS2R46, TAS2R5, TAS2R50, TAS2R60, TAS2R7, TAS2R8, TAS2R9, TAX1BP3, TBC1D10A, TBC1D10B, TBC1D10C, TBC1D2, TBC1D24, TBC1D3, TBC1D30, TBC1D3B, TBC1D3C, TBC1D3D, TBC1D3E, TBC1D3F, TBC1D3G, TBC1D3H, TBC1D3I, TBC1D3K, TBC1D3L, TBXA2R, TCAF1, TCAF2, TCAF2C, TCHP, TCIM, TCIRG1, TCN2, TDG, TDP1, TEC, TECTA, TECTB, TEK, TENM1, TENM2, TENM3, TENM4, TENT4B, TEP1, TERT, TES, TESC, TEX101, TF, TFCP2, TFPI, TFR2, TFRC, TGFA, TGFB1, TGFB3, TGFBI, TGFBR1, TGFBR2, TGFBR3, TGFBR3L, TGM1, TGM2, TGM5, TGOLN2, THBD, THEM4, THSD7A, THSD7B, THY1, TIAM1, TICAM2, TIE1, TIGIT, TIMD4, TIRAP, TJAP1, TJP1, TJP2, TJP3, TKT, TLCD1, TLCD2, TLCD3A, TLN1, TLN2, TLR1, TLR10, TLR2, TLR3, TLR4, TLR5, TLR6, TLR7, TLR8, TLR9, TM2D1, TM2D3, TM4SF1, TM4SF20, TM4SF5, TM7SF2, TM7SF3, TM9SF2, TMBIM1, TMBIM6, TMC1, TMC2, TMC3, TMC4, TMC5, TMC6, TMC7, TMC8, TMED1, TMED10, TMEFF1, TMEM100, TMEM102, TMEM106A, TMEM106B, TMEM11, TMEM117, TMEM119, TMEM120A, TMEM126A, TMEM127, TMEM130, TMEM131L, TMEM132A, TMEM147, TMEM150A, TMEM150B, TMEM150C, TMEM161B, TMEM163, TMEM170B, TMEM179B, TMEM182, TMEM184A, TMEM198, TMEM202, TMEM204, TMEM219, TMEM233, TMEM25, TMEM266, TMEM268, TMEM30A, TMEM30B, TMEM43, TMEM47, TMEM50B, TMEM59, TMEM63A, TMEM63B, TMEM63C, TMEM65, TMEM74, TMEM87A, TMEM88, TMEM88B, TMEM8B, TMEM97, TMEM98, TMIGD1, TMIGD3, TMPRSS11A, TMPRSS11B, TMPRSS11D, TMPRSS11E, TMPRSS11F, TMPRSS12, TMPRSS13, TMPRSS2, TMPRSS3, TMPRSS4, TMPRSS5, TMPRSS6, TMPRSS7, TMPRSS9, TMX3, TNF, TNFAIP8L3, TNFRSF10A, TNFRSF10B, TNFRSF10C, TNFRSF10D, TNFRSF11A, TNFRSF11B, TNFRSF12A, TNFRSF13B, TNFRSF13C, TNFRSF14, TNFRSF17, TNFRSF18, TNFRSF19, TNFRSF1A, TNFRSF1B, TNFRSF21, TNFRSF25, TNFRSF4, TNFRSF8, TNFRSF9, TNFSF10, TNFSF11, TNFSF12, TNFSF13B, TNFSF14, TNFSF15, TNFSF18, TNFSF4, TNFSF8, TNFSF9, TNK1, TNK2, TNKS1BP1, TNS2, TOM1, TOMT, TOPBP1, TP53I13, TPBG, TPBGL, TPO, TPRA1, TPSG1, TPTE2, TRABD2A, TRABD2B, TRAC, TRADD, TRAF3IP3, TRAF4, TRAF6, TRAF7, TRAJ31, TRAJ42, TRAK2, TRAPPC14, TRARG1, TRAT1, TRAV19, TRAV29DV5, TRAV8-4, TRB, TRBC1, TRBC2, TRBV10-1, TRBV10-2, TRBV10-3, TRBV11-1, TRBV11-2, TRBV11-3, TRBV12-3, TRBV12-4, TRBV12-5, TRBV13, TRBV14, TRBV15, TRBV16, TRBV17, TRBV18, TRBV19, TRBV2, TRBV20-1, TRBV20OR9-2, TRBV23-1, TRBV24-1, TRBV25-1, TRBV27, TRBV28, TRBV29-1, TRBV3-1, TRBV30, TRBV4-1, TRBV4-2, TRBV4-3, TRBV5-1, TRBV5-3, TRBV5-4, TRBV5-5, TRBV5-6, TRBV5-7, TRBV5-8, TRBV6-1, TRBV6-2, TRBV6-3, TRBV6-4, TRBV6-5, TRBV6-6, TRBV6-7, TRBV6-8, TRBV6-9, TRBV7-1, TRBV7-2, TRBV7-3, TRBV7-4, TRBV7-6, TRBV7-7, TRBV7-8, TRBV7-9, TRBV9, TRDC, TRDN, TREH, TREM1, TREM2, TREML1, TREML2, TREML4, TRGC1, TRGC2, TRGV3, TRGV9, TRHDE, TRHR, TRIB3, TRIM16, TRIM23, TRIM36, TRIM4, TRIP10, TRIP6, TRO, TRPA1, TRPC1, TRPC3, TRPC4, TRPC4AP, TRPC5, TRPC6, TRPC7, TRPM1, TRPM2, TRPM3, TRPM4, TRPM5, TRPM6, TRPM7, TRPM8, TRPV1, TRPV2, TRPV3, TRPV4, TRPV5, TRPV6, TSC1, TSC22D1, TSG101, TSHR, TSHZ3, TSPAN1, TSPAN10, TSPAN11, TSPAN12, TSPAN13, TSPAN14, TSPAN15, TSPAN16, TSPAN17, TSPAN18, TSPAN19, TSPAN2, TSPAN3, TSPAN31, TSPAN32, TSPAN33, TSPAN4, TSPAN5, TSPAN6, TSPAN7, TSPAN8, TSPAN9, TSPO2, TTC17, TTC7A, TTC7B, TTLL12, TTLL5, TTYH1, TTYH2, TTYH3, TUB, TUBA1A, TULP1, TULP3, TUSC3, TXK, TYK2, TYRO3, TYROBP, U2AF1L4, UAP1, UBA52, UBAC1, UBAP1, UBB, UBC, UBE2B, UBE2C, UBE2D3, UBE2QL1, UBL3, UBQLN1, UBQLN2, UBR4, UGT1A1, ULBP1, ULBP2, ULBP3, UNC13A, UNC13B, UNC13C, UNC5A, UNC5B, UNC5C, UNC5D, UNC79, UNC80, UNC93A, UPK1A, UPK2, UPK3A, UPK3B, USH1C, USH1G, USP12, USP14, USP21, USP4, USP6, USP6NL, USP8, UTP20, UTRN, UTS2R, VAMP1, VAMP2, VAMP3, VAMP4, VAMP5, VAMP7, VAMP8, VANGL1, VANGL2, VAPA, VAPB, VASN, VASP, VAV1, VAV2, VAV3, VCAM1, VCL, VDAC1, VEPH1, VEZT, VHL, VIL1, VIM, VIPR1, VIPR2, VLDLR, VMP1, VN1R1, VN1R17P, VN1R2, VN1R3, VN1R4, VN1R5, VNN1, VNN2, VPS28, VPS35L, VPS37B, VPS4A, VPS4B, VSIG1, VSIG10, VSIG10L2, VSIG2, VSIR, VSTM1, VSTM4, VSTM5, VXN, WARS2, WAS, WASHC2A, WASHC2C, WASL, WDFY3, WDPCP, WDR1, WDR13, WDR19, WDR6, WEE2, WHRN, WLS, WNK2, WNT1, WNT3, WNT3A, WNT4, WNT5A, WNT5B, WNT6, WNT7A, WNT7B, WWP1, WWTR1, XCE, XCR1, XG, XK, XKR3, XKR4, XKR5, XKR6, XKR7, XKR8, XKR9, XKRX, XPC, XPNPEP2, XPO6, XPR1, XRCC5, XRN1, YBX1, YES1, YIPF1, YIPF3, YIPF4, YKT6, YRDC, YTHDC1, YWHAH, ZACN, ZAN, ZAP70, ZBTB33, ZBTB42, ZDHHC2, ZDHHC20, ZDHHC21, ZDHHC22, ZDHHC4, ZDHHC5, ZG16B, ZGPAT, ZMAT3, ZMYND19, ZNF397, ZNF607, ZNF804A, ZNRF1, ZNRF2, ZNRF3, ZP1, ZP2, ZP3, ZP4, ZYX

Djenkolic_acid

(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanyl]propanoic acid

C7H14N2O4S2 (254.0395)


L-djenkolic acid is a dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene. It has a role as a plant metabolite and a toxin. It is a dithioacetal, a L-cysteine derivative and a non-proteinogenic L-alpha-amino acid. Djenkolic acid is a plant toxin found in the beans of the South-East Asian legumes jengkol (Archidendron jiringa). It is nephrotoxic to humans. (L1236) A dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene. Djenkolic acid is a sulfur-containing non-protein amino acid naturally found in the djenkol beans of the Southeast Asian plant Archidendron jiringa. Djenkolic Acid often causes renal injury, including hypersensitivity to or a direct toxic effect of a djenkol bean metabolite, resulting in acute kidney injury and/or urinary tract obstruction by djenkolic acid crystals, sludge, and/or possible ureteral spasms[1].

   

(-)-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.

   

Makisteron A

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

C28H46O7 (494.3243)


Makisterone A is a steroid. Makisterone A is a natural product found in Rhodnius prolixus, Dysdercus cingulatus, and other organisms with data available.

   

L-Canaline

L-alpha-amino-gamma-(aminooxy)-n-butyric acid

C4H10N2O3 (134.0691)


L-canaline, also known as L-2-amino-4-(aminooxy)butyric acid, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-canaline is soluble (in water) and a moderately acidic compound (based on its pKa). L-canaline can be found in a number of food items such as mulberry, rape, grape, and black chokeberry, which makes L-canaline a potential biomarker for the consumption of these food products. L-canaline is a substrate for ornithine aminotransferase resulting in the synthesis of L-ureidohomoserine (the corresponding analog of L-citrulline). In turn, the latter forms L-canavaninosuccinic acid in a reaction mediated by argininosuccinic acid synthetase. L-Canavaninosuccinic acid is cleaved to form L-canavanine by argininosuccinic acid synthetase. By these sequential reactions, the canaline-urea cycle (analogous to the ornithine-urea cycle) is formed. Every time a canavanine molecule runs through the canaline-urea cycle, the two terminal nitrogen atoms are released as urea. Urea is an important by-product of this reaction sequence because it makes ammonicial ammonia (urease-mediated) that is available to support intermediary nitrogen metabolism. L-canaline can by reductively cleaved to L-homoserine, a non-protein amino acid of great importance in the formation of a host of essential amino acids. In this way, the third nitrogen atom of canavanine enters into the reactions of nitrogen metabolism of the plant. As homoserine, its carbon skeleton also finds an important use . L-canaline is a non-proteinogenic L-alpha-amino acid that is L-homoserine in which the hydroxy group at position 4 is substituted by an aminooxy group. It has been isolated from legumes and plays an essential role in lugume chemical defense against insects. It has a role as a plant metabolite, an antineoplastic agent, an antimetabolite and a phytogenic insecticide. It is functionally related to a L-homoserine. It is a tautomer of a L-canaline zwitterion. Canavanine reacts with water to produce L-canaline and urea. The reaction is catalyzed by arginase. L-canaline reacts with carbamoyl-phosphate to produce O-ureidohomoserine and phosphate. The reaction is catalyzed by ornithine carbamoyltransferase. A non-proteinogenic L-alpha-amino acid that is L-homoserine in which the hydroxy group at position 4 is substituted by an aminooxy group. It has been isolated from legumes and plays an essential role in lugume chemical defense against insects.

   

Melilotoside

(2E)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid

C15H18O8 (326.1002)


Melilotoside, also known as trans-beta-D-glucosyl-2-hydroxycinnamic acid or beta-D-glucosyl-2-coumarate, belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans and flavonoids. Melilotoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Melilotoside is found in herbs and spices. Melilotoside has been isolated from Melilotus alba (white melilot), Melilotus altissimus (tall yellow sweet clover), and other plants. Trans-beta-D-glucosyl-2-hydroxycinnamic acid is a glucosyl hydroxycinnamic acid. It is a conjugate acid of a trans-beta-D-glucosyl-2-hydroxycinnamate. Melilotoside is a natural product found in Mikania laevigata, Serpocaulon triseriale, and other organisms with data available.

   

Cannabisin F

2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(1E)-3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]-, (2Z)-

C36H36N2O8 (624.2472)


Cannabisin F is a natural product found in Mitrephora tomentosa, Mitrephora thorelii, and Cannabis sativa with data available.

   

Cyclomorusin

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

C25H22O6 (418.1416)


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

   

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

   

Eucommiol

1-Cyclopentene-1,2-dimethanol, 4-hydroxy-3-(2-hydroxyethyl)-, (3R,4R)-

C9H16O4 (188.1049)


Eucommiol is an alicyclic compound that is cyclopent-3-en-1-ol carrying additional hydroxymethyl substituents at positions 3 and 4 as well as a 2-hydroxyethyl substituent at position 2 (the 1R,2R-diastereomer). It has a role as a sedative and a plant metabolite. It is a tetrol, a primary allylic alcohol and an alicyclic compound. Eucommiol is a natural product found in Aucuba japonica, Vitex trifolia, and other organisms with data available. An alicyclic compound that is cyclopent-3-en-1-ol carrying additional hydroxymethyl substituents at positions 3 and 4 as well as a 2-hydroxyethyl substituent at position 2 (the 1R,2R-diastereomer).

   

Gentisate aldehyde

2,5-Dihydroxybenzaldehyde polymer

C7H6O3 (138.0317)


Gentisate aldehyde is a substrate of the enzyme aldehyde oxidase 1 [EC:1.2.3.1] in Valine, leucine and isoleucine degradation, Tyrosine metabolism, Tryptophan metabolism, Vitamin B6 metabolism and Nicotinate and nicotinamide metabolism. (KEGG) [HMDB] Gentisate aldehyde is a substrate of the enzyme aldehyde oxidase 1 [EC:1.2.3.1] in Valine, leucine and isoleucine degradation, Tyrosine metabolism, Tryptophan metabolism, Vitamin B6 metabolism and Nicotinate and nicotinamide metabolism. (KEGG). 2,5-Dihydroxybenzaldehyde (Gentisaldehyde) is a naturally occurring antimicrobial that inhibits the growth of Mycobacterium avium subsp. paratuberculosis. 2,5-Dihydroxybenzaldehyde is active against S. aureus strains with a MIC50 of 500 mg/L[1][2].

   

secbumetone

Pesticide4_Secbumeton_C10H19N5O_N-sec-Butyl-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

C10H19N5O (225.159)


CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7666; ORIGINAL_PRECURSOR_SCAN_NO 7665 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7673; ORIGINAL_PRECURSOR_SCAN_NO 7670 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7712; ORIGINAL_PRECURSOR_SCAN_NO 7710 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7682; ORIGINAL_PRECURSOR_SCAN_NO 7680 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7740; ORIGINAL_PRECURSOR_SCAN_NO 7739 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7721; ORIGINAL_PRECURSOR_SCAN_NO 7717 CONFIDENCE standard compound; EAWAG_UCHEM_ID 669

   

Thifensulfuron-methyl

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

C12H13N5O6S2 (387.0307)


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

   

6-Hydroxyhexanoic acid

5-Hydroxypentanecarboxylic acid

C6H12O3 (132.0786)


6-Hydroxyhexanoate was identified as the immediate product of hexanoate w-hydroxylation by whole cells and was further oxidized into adipic acid and an unexpected metabolite identified as 2-tetrahydrofuranacetic acid. This same metabolite, together with adipic acid, was also detected when similarly induced cells were incubated with hexanoate or 1,6-hexanediol, but not with 6-oxohexanoate (adipic semialdehyde).Cells grown on hexanoate and incubated with 6-hydroxyhexanoate were also found to accumulate 2-tetrahydrofuranacetic acid, which was not further degraded. Utilization of 6-hydroxyhexanoate for growth was restricted to those organisms also able to utilize adipate. Similar observations were made with 1,6-hexanediol serving as the carbon source and cells obtained from one organism,Pseudomonas aeruginosa PAO, grown either on 1,6-hexanediol or 6-hydroxyhexanoate,were found to be well induced for both 6-oxohexanoate and adipate oxidation. The results indicate that 6-hydroxyhexanoate and 1,6-hexanediol are susceptible to both 1B- and w-oxidative attack; however, the former pathway appears to be of no physiological significance since it generates 2-tetrahydrofuranacetic acid as a nonmetabolizable intermediate, making w-oxidation via adipate the exclusive pathway for degradation. [HMDB] 6-Hydroxyhexanoate was identified as the immediate product of hexanoate w-hydroxylation by whole cells and was further oxidized into adipic acid and an unexpected metabolite identified as 2-tetrahydrofuranacetic acid. This same metabolite, together with adipic acid, was also detected when similarly induced cells were incubated with hexanoate or 1,6-hexanediol, but not with 6-oxohexanoate (adipic semialdehyde).Cells grown on hexanoate and incubated with 6-hydroxyhexanoate were also found to accumulate 2-tetrahydrofuranacetic acid, which was not further degraded. Utilization of 6-hydroxyhexanoate for growth was restricted to those organisms also able to utilize adipate. Similar observations were made with 1,6-hexanediol serving as the carbon source and cells obtained from one organism,Pseudomonas aeruginosa PAO, grown either on 1,6-hexanediol or 6-hydroxyhexanoate,were found to be well induced for both 6-oxohexanoate and adipate oxidation. The results indicate that 6-hydroxyhexanoate and 1,6-hexanediol are susceptible to both 1B- and w-oxidative attack; however, the former pathway appears to be of no physiological significance since it generates 2-tetrahydrofuranacetic acid as a nonmetabolizable intermediate, making w-oxidation via adipate the exclusive pathway for degradation. KEIO_ID H061

   

dIMP

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

C10H13N4O7P (332.0522)


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

   

(S)-2-Propylpiperidine

coniine hydrochloride, (+-)-isomer

C8H17N (127.1361)


(S)-2-Propylpiperidine is found in black elderberry. (S)-2-Propylpiperidine is an alkaloid of Amorphophalus rivieri (devils tongue Alkaloid of Amorphophalus rivieri (devils tongue). (S)-2-Propylpiperidine is found in pomegranate and black elderberry.

   

Metosulam

N-(2,6-dichloro-3-Methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide, 9ci

C14H13Cl2N5O4S (417.0065)


Selective post-emergence herbicide used on cereals against broad-leaved weeds Selective post-emergence herbicide used on cereals against broad-leaved weed

   

Afugan

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

C14H20N3O5PS (373.0861)


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

   

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

   

Diisopropylphthalate

DIISOPROPYL PHTHALATE

C14H18O4 (250.1205)


CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9433; ORIGINAL_PRECURSOR_SCAN_NO 9428 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4533; ORIGINAL_PRECURSOR_SCAN_NO 4530 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9448; ORIGINAL_PRECURSOR_SCAN_NO 9444 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4512; ORIGINAL_PRECURSOR_SCAN_NO 4510 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9411; ORIGINAL_PRECURSOR_SCAN_NO 9407 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9458; ORIGINAL_PRECURSOR_SCAN_NO 9456 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4593 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9380; ORIGINAL_PRECURSOR_SCAN_NO 9378 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4515; ORIGINAL_PRECURSOR_SCAN_NO 4513 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9407; ORIGINAL_PRECURSOR_SCAN_NO 9402 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4506; ORIGINAL_PRECURSOR_SCAN_NO 4505 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4506; ORIGINAL_PRECURSOR_SCAN_NO 4504 CONFIDENCE standard compound; INTERNAL_ID 196

   

4-Heptylphenol

p-Hydroxyheptylbenzene

C13H20O (192.1514)


   

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

   

Diheptyl phthalate

1,2-Benzenedicarboxylic acid diheptyl ester

C22H34O4 (362.2457)


   

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).

   

Coumachlor

3-(1-(4-Chlorophenyl)-3-oxobutyl)-4-hydroxy-2H-1-benzopyran-2-one

C19H15ClO4 (342.0659)


D006401 - Hematologic Agents > D000925 - Anticoagulants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3090 D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals

   

Sakuranin

[ S, (-) ] -5- (beta-D-Glucopyranosyloxy) -2,3-dihydro-2- (4-hydroxyphenyl) -7-methoxy-4H-1-benzopyran-4-one

C22H24O10 (448.1369)


A flavanone glycoside that is sakuranetin attached to a beta-D-glucopyranosyl residue at position 5 via a glycosidic linkage.

   

16(R)-HETE

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

C20H32O3 (320.2351)


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

   

Difenoxin

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

C28H28N2O2 (424.2151)


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

   

Docosatrienoate (22:3n3)

(13E,16E,19E)-Docosa-13,16,19-trienoic acid

C22H38O2 (334.2872)


Docosatrienoic acid, also known as docosatrienoate, belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Docosatrienoic acid is a very hydrophobic molecule, is practically insoluble (in water), and is relatively neutral. Application of docosatrienoic acid was shown to dose-dependently decrease the peak K+ current amplitude and accelerate the potassium activation and inactivation kinetics at all membrane potentials.

   

Propiomazine

1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one

C20H24N2OS (340.1609)


Propiomazine, an atypical antipsychotic agent, is used to treat both negative and positive symptoms of schizophrenia, acute mania with bipolar disorder, agitation, and psychotic symptoms in dementia. Future uses may include the treatment of obsessive-compulsive disorder and severe behavioral disorders in autism. Structurally and pharmacologically similar to clozapine, propiomazine binds to alpha(1), dopamine, histamine H1, muscarinic, and serotonin type 2 (5-HT2) receptors. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

   

GS 14259

TERBUMETON

C10H19N5O (225.159)


EAWAG_UCHEM_ID 346; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 346

   

dCDP

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

C9H15N3O10P2 (387.0233)


dCDP is a substrate for Uridine-cytidine kinase 1, Nucleoside diphosphate kinase (mitochondrial), Nucleoside diphosphate kinase homolog 5, Ribonucleoside-diphosphate reductase large subunit, Nucleoside diphosphate kinase A, Nucleoside diphosphate kinase 7, Ribonucleoside-diphosphate reductase M2 chain, Nucleoside diphosphate kinase B, Nucleoside diphosphate kinase 3, Nucleoside diphosphate kinase 6 and UMP-CMP kinase. [HMDB]. dCDP is found in many foods, some of which are oil palm, sweet bay, garden onion (variety), and italian sweet red pepper. dCDP is a substrate for Uridine-cytidine kinase 1, Nucleoside diphosphate kinase (mitochondrial), Nucleoside diphosphate kinase homolog 5, Ribonucleoside-diphosphate reductase large subunit, Nucleoside diphosphate kinase A, Nucleoside diphosphate kinase 7, Ribonucleoside-diphosphate reductase M2 chain, Nucleoside diphosphate kinase B, Nucleoside diphosphate kinase 3, Nucleoside diphosphate kinase 6 and UMP-CMP kinase. Acquisition and generation of the data is financially supported in part by CREST/JST.

   

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

4-Trimethylammoniobutanoate

C7H16NO2+ (146.1181)


   

N-acetylcitrulline

(2S)-2-(Acetylamino)-5-[(aminocarbonyl)amino]pentanoic acid

C8H15N3O4 (217.1063)


N-alpha-Acetyl-L-citrulline, also known as N-acetylcitrulline, is an N-acetylated metabolite of citrulline that is part of the arginine biosynthetic pathway. Arginine biosynthesis is notable for its complexity and variability at the genetic level, and by its connection with several other pathways, such as pyrimidine and polyamine biosynthesis, and certain degradative pathways. The initial steps of the arginine biosynthetic pathways proceed via N-acetylated intermediates. The presumed reason for this is that the acetylation prevents the spontaneous cyclization of glutamate derivatives, which leads to proline biosynthesis. N-acetyl-L-ornithine can be transcarbamylated directly by the enzyme acetylornithine transcarbamylase, resulting in N-acetyl-L-citrulline. The enzyme acetylornithine deacetylase can accept N-acetyl-L-citrulline as a substrate and can deacetylate it into citrulline. N-alpha-Acetyl-L-citrulline is found in cases of deficiency of the urea cycle enzyme argininosuccinate synthase (EC 6.3.4.5) that leads to increased concentrations of citrulline and N-acetylcitrulline in the urine (PMID: 14633929). N-acetyl-l-citrulline, also known as (S)-2-acetamido-5-ureidopentanoic acid, is a member of the class of compounds known as N-acyl-l-alpha-amino acids. N-acyl-l-alpha-amino acids are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N-acetyl-l-citrulline is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N-acetyl-l-citrulline can be found in a number of food items such as macadamia nut, persian lime, broccoli, and annual wild rice, which makes N-acetyl-l-citrulline a potential biomarker for the consumption of these food products.

   

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

   

2-Aminobenzenesulfonic acid

1-Aminobenzene-2-sulphonic acid

C6H7NO3S (173.0147)


2-Aminobenzenesulfonic acid is an endogenous metabolite.

   

2-Butyne-1,4-diol

Bis(hydroxymethyl)acetylene

C4H6O2 (86.0368)


   

Acetylenedicarboxylic acid

2-Butynedioic acid, potassium salt

C4H2O4 (113.9953)


KEIO_ID A128

   

Maleamic acid

4-amino-4-oxobut-2-enoic acid

C4H5NO3 (115.0269)


A dicarboxylic acid monoamide of maleamic acid. (Z)-4-Amino-4-oxobut-2-enoic acid is an endogenous metabolite.

   

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

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

C20H30O3 (318.2195)


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

   

Flurenol

Flurenol

C14H10O3 (226.063)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3094

   

1-Aminoethylphosphonate

(S)-(+)-1-Aminoethylphosphonic acid

C2H8NO3P (125.0242)


KEIO_ID A057

   

2,4-Dichlorobenzoate

2,4-DICHLOROBENZOIC ACID

C7H4Cl2O2 (189.9588)


KEIO_ID D135

   

Fructose 1-phosphate

{[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid

C6H13O9P (260.0297)


Fructose 1-phosphate, also known as D-fructose-1-p, belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. Metabolism of fructose thus essentially results in intermediates of glycolysis. The final product of glycolysis (pyruvate) may then undergo gluconeogenesis, enter the TCA cycle or be stored as fatty acids. Fructose 1-phosphate exists in all living organisms, ranging from bacteria to humans. Within humans, fructose 1-phosphate participates in a number of enzymatic reactions. In particular, fructose 1-phosphate can be biosynthesized from D-fructose through the action of the enzyme ketohexokinase. In addition, fructose 1-phosphate can be converted into dihydroxyacetone phosphate and glyceraldehyde; which is catalyzed by the enzyme fructose-bisphosphate aldolase a. Because fructokinase has a high Vmax fructose entering cells is quickly phosphorylated to fructose 1-phosphate. In humans, fructose 1-phosphate is involved in fructose intolerance, hereditary. Hypoglycemia results from inhibition of glycogenolysis and gluconeogenesis. It is generated mainly by hepatic fructokinase but is also generated in smaller amounts in the small intestinal mucosa and proximal epithelium of the renal tubule. Aldolase B converts it into glyceraldehyde and dihydroxyacetone phosphate (DHAP). Symptoms of hereditary fructose intolerance are apathy, drowsiness, sweatiness and tremulousness. Fructose 1-phosphate is an intermediate metabolite in the Fructose and mannose metabolism pathway. [HMDB] KEIO_ID F009

   

M-toluic Acid

beta-Bethylbenzoic acid

C8H8O2 (136.0524)


M-toluic Acid, also known as beta-Bethylbenzoic acid or m-Toluate, is classified as a member of the Benzoic acids. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. M-toluic Acid is considered to be slightly soluble (in water) and acidic CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4069; ORIGINAL_PRECURSOR_SCAN_NO 4066 CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3095; ORIGINAL_PRECURSOR_SCAN_NO 3093 CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3109; ORIGINAL_PRECURSOR_SCAN_NO 3105 CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3097; ORIGINAL_PRECURSOR_SCAN_NO 3094 KEIO_ID M018

   

3-Methylguanine

7-dihydro-3-Methyl-2-amino-3-6H-purin-6-one (9ci)

C6H7N5O (165.0651)


3-Methylguanine is a methylated purine base. Methylated purine bases are known to be present in normal urine and to change under pathological conditions, in particular in the development of leukemia, tumors and immunodeficiency, by the altered turnover of nucleic acids typical of these diseases. (PMID 9069642) [HMDB] 3-Methylguanine is a methylated purine base. Methylated purine bases are known to be present in normal urine and to change under pathological conditions, in particular in the development of leukemia, tumors and immunodeficiency, by the altered turnover of nucleic acids typical of these diseases. (PMID 9069642). KEIO_ID M042

   

Isorhapontin

(2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxy-3-methoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

C21H24O9 (420.142)


Isorhapontin is a stilbenoid and a glycoside. Isorhapontin is a natural product found in Rheum undulatum, Veratrum taliense, and other organisms with data available.

   

Glucobrassicanapin

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

C12H21NO9S2 (387.0658)


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

   

4-Hydroxy-3-prenylbenzoate

3-dimethylallyl-4-hydroxybenzoic acid

C12H14O3 (206.0943)


   

D-Glycero-D-galacto-heptitol

Perseitol,. (L-glycero-D-galacto)-isomer

C7H16O7 (212.0896)


D-Glycero-D-manno-heptitol is found in avocado. D-Glycero-D-manno-heptitol occurs in the edible chichitake mushroom (Lactarius volemus). D-Glycero-D-manno-heptitol is widely distributed in plants. Occurs in the edible chichitake mushroom (Lactarius volemus). Widely distributed in plants. D-Glycero-D-manno-heptitol is found in mushrooms and avocado.

   

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.

   

chaulmoogric acid

2-Cyclopentene-1-tridecanoicacid, (1S)-

C18H32O2 (280.2402)


A monounsaturated long-chain fatty acid composed of tridecanoic acid having a 2-cyclopentenyl substituent at the 13-position.

   

Pinoquercetin

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

C16H12O7 (316.0583)


   

Aloeresin A

[4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

C28H28O11 (540.1632)


   

Altersolanol A

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

C16H16O8 (336.0845)


CONFIDENCE isolated standard

   

Averufin

2-Methyl-7,9,11-trihydroxy-3,4,5,6-tetrahydro-2,6-epoxy-2H-anthra(2,3-b)oxocin-8,13-dione

C20H16O7 (368.0896)


CONFIDENCE isolated standard

   

Imazamethabenz-methyl

methyl 4-methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzoate

C16H20N2O3 (288.1474)


Imazamethabenz-methyl is a herbicide. Activity and selectivity are due to differential de-esterification to the active parent acid in target and crop species. Imazamethabenz-methyl is used on cereals and sunflowers, especially against wild oat Herbicide. Activity and selectivity are due to differential de-esterification to the active parent acid in target and crop species. It is used on cereals and sunflowers, especies against wild oats CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1063

   

Quizalofop-P-tefuryl

Quizalofop-P-tefuryl

C22H21ClN2O5 (428.1139)


   
   

9,10-Epoxystearic acid

9,10-Epoxystearic acid, (trans)-isomer

C18H34O3 (298.2508)


9,10-epoxystearate, also known as 18:0(9ep) or 9,10-epoxystearic acid, 14c-acid, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, 9,10-epoxystearate is considered to be an octadecanoid lipid molecule. 9,10-epoxystearate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 9,10-epoxystearate can be found in a number of food items such as garden cress, silver linden, european chestnut, and soft-necked garlic, which makes 9,10-epoxystearate a potential biomarker for the consumption of these food products.

   

1,2-Anthracenediol

1,2-Anthracenediol

C14H10O2 (210.0681)


   

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

Hydroxyglutamic acid, erythro-(DL)-isomer

C5H9NO5 (163.0481)


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

   

cis-Hinokiresinol

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

C17H16O2 (252.115)


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

   

(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.

   

5-Formiminotetrahydrofolic acid

5-Formimidoyltetrahydrofolic acid

C20H24N8O6 (472.1819)


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

   

Oxaluric acid

2-hydroxy-2-[(C-hydroxycarbonimidoyl)imino]acetic acid

C3H4N2O4 (132.0171)


Oxalureate, also known as monooxalylurea or oxaluric acid, is a member of the class of compounds known as N-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. Oxalureate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Oxalureate can be found in cocoa bean, which makes oxalureate a potential biomarker for the consumption of this food product. Oxalureate may be a unique E.coli metabolite.

   
   

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.

   

Nocardicin A

1-Azetidineacetic acid

C23H24N4O9 (500.1543)


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

   

Formylmethanofuran

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

C35H44N4O16 (776.2752)


   

Allophanic acid

Urea-1-carboxylic acid

C2H4N2O3 (104.0222)


   

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.

   

Dimethylaniline-N-oxide

N,N-dimethylbenzeneamine oxide

C8H11NO (137.0841)


Dimethylaniline-N-oxide is a substrate for Dimethylaniline monooxygenase 4, Dimethylaniline monooxygenase 3, Dimethylaniline monooxygenase 1, Dimethylaniline monooxygenase 5, Putative dimethylaniline monooxygenase 6 and Dimethylaniline monooxygenase 2. [HMDB]. Dimethylaniline-N-oxide is found in many foods, some of which are lemon thyme, star anise, chinese mustard, and gooseberry. Dimethylaniline-N-oxide is a substrate for Dimethylaniline monooxygenase 4, Dimethylaniline monooxygenase 3, Dimethylaniline monooxygenase 1, Dimethylaniline monooxygenase 5, Putative dimethylaniline monooxygenase 6 and Dimethylaniline monooxygenase 2.

   

2,6-dioxo-6-phenylhexa-3-enoate

2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

C12H10O4 (218.0579)


   

Xanthosine 5-pyrophosphate

XDP; Xanthosine 5-pyrophosphate; Xanthosine 5-diphosphate

C10H14N4O12P2 (444.0083)


   

dXTP

[[(2R,3S,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C10H15N4O14P3 (507.9798)


   

L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol

(+)-(3R)-Hydroxymethylbutane-1,2,3,4-tetrol

C5H12O5 (152.0685)


L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol is found in caraway. L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol is found in caraway and herbs and spices.

   

Tauropine

2-(2-sulfoethylamino)propanoic acid

C5H11NO5S (197.0358)


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

   

Discadenine

3-(3-Amino-3-carboxypropyl)-N6-(δ2-isopentenyl)-adenine

C14H20N6O2 (304.1648)


A 6-isopentenylaminopurine having a 3-amino-3-carboxypropyl group attached at the 3-position.

   

Okadaic acid

(2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2R,4R,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5-oxolane]-2-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid

C44H68O13 (804.466)


Okadaic acid is found in mollusks. Okadaic acid is found in the marine sponges Halichondria okadai and Halichondria melanodocia and shellfish. It is a metabolite of Prorocentrum lima. It is a diarrhetic shellfish toxin. Okadaic acid is a toxin that accumulates in bivalves and causes diarrhetic shellfish poisoning. The molecular formula of okadaic acid, which is a derivative of a C38 fatty acid, is C44H68O13. The IUPAC name of okadaic acid is (2R)-2-hydroxy-3-{(2S,5R,6R,8S)-5-hydroxy-[(1R,2E)-3-((2R,5R,6S,8R,8aS)-8-hydroxy-6-{(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7-methyleneoctahydro-3H,3H-spiro[furan-2,2-pyrano[3,2-b]pyran]-5-yl)-1-methylprop-2-en-1-yl]-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-methylpropanoic acid. Okadaic acid was named from the marine sponge Halichondria okadai, from which okadaic acid was isolated for the first time. It has also been isolated from another marine sponge, H. malanodocia, as a cytotoxin. The real producer of okadaic acid is a marine dinoflagellate D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors D007476 - Ionophores

   

Eicosanoyl-CoA

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

C41H74N7O17P3S (1061.4075)


Eicosanoyl-CoA is an intermediate metabolite in the synthesis of phosphatidic acid, a substrate of lysophosphatidic acid acyltransferase with high specificity as an acyl donor. Cells and membranes of mammalian cells synthesize their glycerophospholipids and triglycerides to maintain the cellular integrity and to provide energy for cellular functions. The phospholipids are synthesized de novo in cells through an evolutionary conserved process involving serial acylations of glycerol-3-phosphate. Several isoforms of the enzyme 1-acylglycerol-3-phosphate-O-acyltransferase (EC 2.3.1.51, AGPAT) acylate lysophosphatidic acid at the sn-2 position to produce phosphatidic acid. Bile acid-CoA:amino acid N-acyltransferase (EC 2.3.1.65, BACAT) catalyzes the conjugation of bile acids to glycine and taurine for excretion into bile and can utilize Eicosanoyl-CoA as an acyl donor as well; this may play important roles in protection against toxicity by accumulation of unconjugated bile acids and non-esterified very long-chain fatty acids. (PMID: 17535882, 12810727) [HMDB] Eicosanoyl-CoA is an intermediate metabolite in the synthesis of phosphatidic acid, a substrate of lysophosphatidic acid acyltransferase with high specificity as an acyl donor. Cells and membranes of mammalian cells synthesize their glycerophospholipids and triglycerides to maintain the cellular integrity and to provide energy for cellular functions. The phospholipids are synthesized de novo in cells through an evolutionary conserved process involving serial acylations of glycerol-3-phosphate. Several isoforms of the enzyme 1-acylglycerol-3-phosphate-O-acyltransferase (EC 2.3.1.51, AGPAT) acylate lysophosphatidic acid at the sn-2 position to produce phosphatidic acid. Bile acid-CoA:amino acid N-acyltransferase (EC 2.3.1.65, BACAT) catalyzes the conjugation of bile acids to glycine and taurine for excretion into bile and can utilize Eicosanoyl-CoA as an acyl donor as well; this may play important roles in protection against toxicity by accumulation of unconjugated bile acids and non-esterified very long-chain fatty acids. (PMID: 17535882, 12810727).

   

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.

   

beta-Alanopine

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

C6H11NO4 (161.0688)


   

cis-Sabinol

(1S,3R,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol

C10H16O (152.1201)


(+)-cis-Sabinol belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, (+)-cis-sabinol is an isoprenoid lipid molecule. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-eritritol-phosphate (MEP) pathway in the plastids (PMID: 23746261). Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. (+)-cis-Sabinol is very hydrophobic, practically insoluble in water, and relatively neutral. Artemisia annuaand (https://doi.org/10.1007/s11418-006-0112-9) and in herbal plant Dendranthema indicum (PMID: 29510531). (+)-cis-sabinol, also known as sabinol or sabinol, (1alpha,3alpha,5alpha)-isomer, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, (+)-cis-sabinol is considered to be an isoprenoid lipid molecule (+)-cis-sabinol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (+)-cis-sabinol can be found in peppermint, which makes (+)-cis-sabinol a potential biomarker for the consumption of this food product.

   

Anthranilyl-CoA

Anthraniloyl-CoA; 2-Aminobenzoyl-CoA

C28H41N8O17P3S (886.1523)


   

2-Oxosuccinamate

3-(C-hydroxycarbonimidoyl)-2-oxopropanoic acid

C4H5NO4 (131.0219)


This compound belongs to the family of Short-chain Keto Acids and Derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms

   

2-Thienylacetic acid

2-Thiopheneacetic acid

C6H6O2S (142.0088)


   

Tolylacetonitrile

Tolylacetonitrile; o-Tolylacetonitrile; o-Methylbenzyl cyanide; 2-Methylbezeneacetonitrile

C9H9N (131.0735)


   

4-guanidinobutanal

4-guanidinobutanal

C5H11N3O (129.0902)


   

4-Fluorobenzoyl-CoA

4-Fluorobenzoyl-CoA; (Acyl-CoA); [M+H]+;

C28H39FN7O17P3S (889.132)


A fluorobenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-fluorobenzoic acid.

   

(2-Naphthyl)methanol

2-Hydroxymethylnaphthalene

C11H10O (158.0732)


This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

   

2-methyleneglutaric acid

Pentanedioic acid,2-methylene-

C6H8O4 (144.0423)


   

Isovaleryl-CoA

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

C26H44N7O17P3S (851.1727)


Isovaleryl-CoA is an intermediate metabolite in the catabolic pathway of leucine. The accumulation of derivatives of isovaleryl-CoA occurs in patients affected with isovaleric acidemia (IVA, OMIM 243500) an autosomal recessive inborn error of leucine metabolism caused by a deficiency of the mitochondrial enzyme isovaleryl-CoA dehydrogenase (IVD, EC 1.3.99.10, a flavoenzyme that catalyzes the conversion of isovaleryl-CoA to 3-methylcrotonyl-CoA). IVA was the first organic acidemia recognized in humans and can cause significant morbidity and mortality. Early diagnosis and treatment with a protein restricted diet and supplementation with carnitine and glycine are effective in promoting normal development in severely affected individuals. Both intra- and interfamilial variability have been recognized. Initially, two phenotypes with either an acute neonatal or a chronic intermittent presentation were described. More recently, a third group of individuals with mild biochemical abnormalities who can be asymptomatic have been identified through newborn screening of blood spots by tandem mass spectrometry. The majority of patients with IVA today are diagnosed pre-symptomatically through newborn screening by use of MS/MS which reveals elevations of the marker metabolite C5 acylcarnitine in dried blood spots. C5 acylcarnitine represents a mixture of isomers (isovalerylcarnitine, 2-methylbutyrylcarnitine, and pivaloylcarnitine). (PMID: 16602101, Am J Med Genet C Semin Med Genet. 2006 May 15;142(2):95-103.) [HMDB]. Isovaleryl-CoA is found in many foods, some of which are purple laver, alaska wild rhubarb, macadamia nut (m. tetraphylla), and green zucchini. Isovaleryl-CoA is an intermediate metabolite in the catabolic pathway of leucine. The accumulation of derivatives of isovaleryl-CoA occurs in patients affected with isovaleric acidemia (IVA, OMIM: 243500), an autosomal recessive inborn error of leucine metabolism caused by a deficiency of the mitochondrial enzyme isovaleryl-CoA dehydrogenase (IVD, EC 1.3.99.10), a flavoenzyme that catalyzes the conversion of isovaleryl-CoA into 3-methylcrotonyl-CoA. IVA was the first organic acidemia recognized in humans and can cause significant morbidity and mortality. Early diagnosis and treatment with a protein-restricted diet and supplementation with carnitine and glycine are effective in promoting normal development in severely affected individuals. Both intra- and interfamilial variability have been recognized. Initially, two phenotypes with either an acute neonatal or a chronic intermittent presentation were described. More recently, a third group of individuals with mild biochemical abnormalities who can be asymptomatic have been identified through newborn screening of blood spots by tandem mass spectrometry. The majority of patients with IVA today are diagnosed pre-symptomatically through newborn screening by use of MS/MS which reveals elevations of the marker metabolite C5 acylcarnitine in dried blood spots. C5 Acylcarnitine represents a mixture of isomers (isovalerylcarnitine, 2-methylbutyrylcarnitine, and pivaloylcarnitine) (PMID: 16602101).

   

Phorbol 13-butanoate

Phorbol 13-butanoate

C24H34O7 (434.2304)


   

3-Hydroxyhexobarbital

5-(3-hydroxycyclohex-1-en-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione

C12H16N2O4 (252.111)


   

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).

   

(±)-2,2'-Iminobispropanoic acid

2-[(1-carboxyethyl)amino]propanoic acid

C6H11NO4 (161.0688)


meso-2,2-Iminobispropanoic acid is found in mollusks. meso-2,2-Iminobispropanoic acid is from scallops (Patinopecten yessoensis) and squids (possibly Todarodes pacificus). From scallops (Patinopecten yessoensis) and squids (possibly Todarodes pacificus). meso-2,2-Iminobispropanoic acid is found in mollusks.

   

3,5-Dichloro-L-tyrosine

3,5-Dichloro-L-tyrosine

C9H9Cl2NO3 (248.9959)


A chloroamino acid that is L-tyrosine carrying chloro- substituents at positions C-3 and C-5 of the benzyl group.

   

4-Hydroxyphenylglyoxylic acid

4-Hydroxyphenylglyoxylic acid

C8H6O4 (166.0266)


   

D-Erythrulose 4-phosphate

D-Erythrulose 4-phosphate

C4H9O7P (200.0086)


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

   

De-O-methylsterigmatocystin

11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one

C17H10O6 (310.0477)


De-O-methylsterigmatocystin is a mycotoxin of Aspergillus versicolor. Mycotoxin of Aspergillus versicolor

   

O-Methylsterigmatocystin

11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one

C19H14O6 (338.079)


O-Methylsterigmatocystin is a mycotoxin of Aspergillus flavu D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   

Glucosamine-2,6-disulfate

N,6-O-Disulfo-D-glucosamine

C6H13NO11S2 (338.993)


   

Strombine

2,2-(Methylazanediyl)diacetic acid

C5H9NO4 (147.0532)


   

3-Hydroxyisobutyryl-CoA

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)


   

CMP-KDO

CMP-3-deoxy-beta-D-manno-octulosonate

C17H26N3O15P (543.1101)


   

SCHEMBL4290912

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

C16H21N3O3 (303.1583)


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

   

4-Hydroxycyclohexylcarboxylic acid

trans-4-Hydroxycyclohexanecarboxylic acid

C7H12O3 (144.0786)


4-Hydroxycyclohexylcarboxylic acid is a rare compound in urinary organic acid analysis. It has been found to be a metabolite of Arthrobacter (http://www.nrcresearchpress.com/doi/pdf/10.1139/m74-202). A rare compound in urinary organic acid analysis [HMDB] 4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].

   

2-Amino-3-carboxymuconic acid semialdehyde

(2Z)-2-amino-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioic acid

C7H7NO5 (185.0324)


2-Amino-3-carboxymuconic acid semialdehyde (CAS: 16597-58-3) is an intermediate metabolite of the tryptophan-niacin catabolic pathway. Current interest in the degradation of tryptophan is mostly due to the role of quinolinate and other metabolites in several neuropathological conditions. Quinolinate is a neurotoxin formed nonenzymatically from 2-amino-3-carboxymuconic semialdehyde in mammalian tissues. 2-Amino-3-carboxymuconic acid semialdehyde is enzymatically converted into 2-aminomuconate via 2-aminomuconic semialdehyde (PMID: 10510494, 16267312, 14275129). 2-amino-3-carboxymuconic acid semialdehyde is an intermediate metabolite of the tryptophan-niacin catabolic pathway. Current interest in the degradation of tryptophan is mostly due to the role of quinolinate and other metabolites in several neuropathological conditions. Quinolinate is a neurotoxin formed nonenzymatically from 2-amino-3-carboxymuconic semialdehyde in mammalian tissues. 2-Amino-3-carboxymuconic semialdehyde is enzymatically converted to 2-aminomuconate via 2-aminomuconic semialdehyde. (PMID: 10510494, 16267312, 14275129) [HMDB]

   

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

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

C20H20I2N2O5 (621.9462)


   

2,6-Dimethylocta-3,7-diene-1,6-diol

(2E)-2,6-dimethylocta-2,7-diene-1,6-diol

C10H18O2 (170.1307)


2,6-dimethylocta-3,7-diene-1,6-diol, also known as (6e)-8-hydroxylinalool, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, 2,6-dimethylocta-3,7-diene-1,6-diol is considered to be a fatty alcohol lipid molecule. 2,6-dimethylocta-3,7-diene-1,6-diol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 2,6-dimethylocta-3,7-diene-1,6-diol can be found in ginger, which makes 2,6-dimethylocta-3,7-diene-1,6-diol a potential biomarker for the consumption of this food product.

   

N-Succinyl-2-amino-6-ketopimelate

(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid

C11H15NO8 (289.0798)


N-Succinyl-2-amino-6-ketopimelate is an intermediate in lysine biosynthesis. It is the fourth to last step in the synthesis of lysine and is converted. from tetrahydrodipicolinate via the enzyme tetrahydrodipicolinate N-succinyltransferase (EC 2.3.1.117). It is then converted to N-succinyl-L,L-2,6-diaminopimelate via the enzyme Succinyldiaminopimelate transferase (EC 2.6.1.17). N-Succinyl-2-amino-6-ketopimelate is an intermediate in lysine biosynthesis. It is the fourth to last step in the synthesis of lysine and is converted

   

5-Me-5,6,7,8-Tetrahydromethanopterin

5-Methyl-5,6,7,8-tetrahydromethanopterin

C31H47N6O16P (790.2786)


   

fecosterol

(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-1(10)-en-5-ol

C28H46O (398.3548)


Fecosterol, also known as 24-methylene-5alpha-cholest-8-en-3beta-ol or delta-8(24),28-ergostadienol, belongs to ergosterols and derivatives class of compounds. Those are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Thus, fecosterol is considered to be a sterol lipid molecule. Fecosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Fecosterol can be synthesized from 5alpha-ergostane. Fecosterol can also be synthesized into fecosterol ester. Fecosterol can be found in a number of food items such as jews ear, lima bean, persimmon, and european plum, which makes fecosterol a potential biomarker for the consumption of these food products. Fecosterol may be a unique S.cerevisiae (yeast) metabolite. Fecosterol is a sterol made by certain fungi and lichens .

   

Methylisocitric acid

1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid

C7H10O7 (206.0427)


Methylisocitric acid is a product of bacterial metabolism in the gut. It can be produced by 2-methylisocitrate lyase and by 2-methylisocitrate dehydratase. Methylisocitric acid has also been found to be a metabolite of Candida (https://www.tandfonline.com/doi/pdf/10.1080/00021369.1974.10861293). Methylisocitric acid is a product of bacterial metabolism in the gut. It can be produced by 2-methylisocitrate lyase and by 2-methylisocitrate dehydratase. [HMDB]

   

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

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

C6H9N5O2 (183.0756)


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

   

8(S)-HPETE

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

C20H32O4 (336.23)


   

Trioxilin A3

(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid

C20H34O5 (354.2406)


   

Phosphoribulosylformimino-AICAR-P

{[(2R,3R)-5-{[({4-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}amino)methylidene]amino}-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid

C15H25N5O15P2 (577.0822)


Phosphoribulosylformimino-AICAR-P belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. Phosphoribulosylformimino-AICAR-P is a strong basic compound (based on its pKa). Phosphoribulosylformimino-AICAR-P is found in both E. coli and humans. A human metabolite taken as a putative food compound of mammalian origin [HMDB]

   

D-Ribulose

D-(−)-Ribulose

C5H10O5 (150.0528)


   

3-Oxodecanoyl-CoA

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

C31H52N7O18P3S (935.2302)


3-oxodecanoyl-coa, also known as 3-ketodecanoyl-CoA is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 3-oxodecanoic acid thioester of coenzyme A. 3-oxodecanoyl-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. 3-oxodecanoyl-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. 3-oxodecanoyl-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, 3-Oxodecanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 3-Oxodecanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 3-Oxodecanoyl-CoA into 3-oxodecanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 3-oxodecanoylcarnitine is converted back to 3-Oxodecanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 3-Oxodecanoyl-CoA occurs in four steps. First, since 3-Oxodecanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 3-Oxodecanoyl-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 bond to make an alcohol. Third, 3-hydroxyacyl-CoA dehydrogenase oxidizes the alcohol group to a ketone and NADH is ... 3-Oxodecanoyl-CoA is an intermediate in fatty acid metabolism, the substrate of the enzyme acetyl-Coenzyme A acetyltransferase 1 and 2 [EC:2.3.1.16-2.3.1.9]; 3-Oxodecanoyl-CoA is an intermediate in fatty acid elongation in mitochondria, being the substrate of the enzymes beta-hydroxyacyl-CoA dehydrogenase and 3-hydroxyacyl-CoA dehydrogenase [EC 1.1.1.211-1.1.1.35]. (KEGG) [HMDB]. 3-Oxodecanoyl-CoA is found in many foods, some of which are chinese cabbage, calabash, safflower, and sunburst squash (pattypan squash).

   

Hydroxy(oxo)phosphanium

Hydroxy(oxo)phosphanium

H2O2P+ (64.9792)


   

Psicofuranine

9-D-Psicofuranosyl-6-aminopurine

C11H15N5O5 (297.1073)


   

3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(2E)-2-methyl-6-[(5R,7S,9R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]hept-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C48H78N7O20P3S (1197.4235)


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

   

AC1NOTCJ

Thiourocanic acid

C6H6N2O2S (170.015)


   

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).

   

Iminoaspartic acid

alpha-Iminosuccinic acid

C4H5NO4 (131.0219)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids Iminoaspartic acid is a substrate for D-aspartate oxidase. [HMDB] Iminoaspartic acid is a substrate for D-aspartate oxidase.

   

Isopyridoxal

5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxaldehyde

C8H9NO3 (167.0582)


Isopyridoxal is an active vitamer of the B6 complex in humans. (PMID 2208740). Vitamin B(6) is an essential component in human diet. (PMID 12686115). Vitamin B6 status (together with other vitamins from the B complex) is also related to Hyperhomocysteinemia, which has been linked to an increased risk for cardiovascular (CV) disease. (PMID 16407736). Isopyridoxal is an active vitamer of the B6 complex in humans. (PMID 2208740)

   

Iridodial

cis-trans-Iridodial

C10H16O2 (168.115)


   

3-Butyn-1-al

3-Butyn-1-al

C4H4O (68.0262)


3-Butyn-1-al is an intermediate in Butanoate metabolism (KEGG ID C06145). It is the third to last step in the synthesis and degradation of ketone bodies and is converted from 3-Butyn-1-ol via the enzyme alcohol dehydrogenase (acceptor) [EC:1.1.99.8]. It is then converted to 3-Butynoate via the enzyme aldehyde dehydrogenase (NAD+) [EC:1.2.1.3]. 3-Butyn-1-al is an intermediate in Butanoate metabolism (KEGG ID

   

2-Hydroxy-6-keto-2,4-heptadienoate

2-Hydroxy-6-oxo-2,4-heptadienoic acid

C7H8O4 (156.0423)


   

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).

   

FT-0699926

3-[(1R,2S,3S,5Z,7S,8S,9Z,13S,14Z,17R,18R)-3,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid

C45H60N4O14 (880.4106)


   
   

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)


   

Chloroquinol

1,4-Dihydroxyl-2-chlorobenzene

C6H5ClO2 (143.9978)


   
   

Erythronolide B

Erythronolide A, 12-deoxy-

C21H38O7 (402.2617)


   

2,2-Bis(4-chlorophenyl)ethanol

2,2-Bis(4-chlorophenyl)ethanol

C14H12Cl2O (266.0265)


A organochlorine compound that is 4,4-dichlorodiphenylmethane in which one of the methylene hydrogens is replaced by a hydroxymethyl group.

   

Dihydroclavaminate

Dihydroclavaminic acid; Dihydroclavaminate

C8H12N2O4 (200.0797)


   

2-Hydroxybiphenyl-2-sulfinate

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

C12H10O3S (234.0351)


   

Isopropamide

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

C23H33N2O+ (353.2593)


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

   

triclofos

2,2,2-Trichloroethyl dihydrogen phosphate, sodium salt

C2H4Cl3O4P (227.8913)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

1,2-Epoxy-p-menth-8-ene

1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane, 9ci

C10H16O (152.1201)


1,2-epoxy-p-menth-8-ene, also known as limonene-1,2-epoxide or 1,2-epoxylimonene, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 1,2-epoxy-p-menth-8-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-epoxy-p-menth-8-ene is a green tasting compound found in lemon and wild celery, which makes 1,2-epoxy-p-menth-8-ene a potential biomarker for the consumption of these food products. 1,2-Epoxy-p-menth-8-ene is found in citrus. 1,2-Epoxy-p-menth-8-ene is isolated from oil of Cymbopogon species, orange (Citrus sinensis), Japanese pepper tree (Zanthoxylum piperitum) and other

   

Limonene-1,2-diol

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

C10H18O2 (170.1307)


   

dimethisterone

Dimethisterone; Dimethisterone anhydrous

C23H32O2 (340.2402)


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

   

Phthalylsulfathiazole

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

C17H13N3O5S2 (403.0297)


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

   

Ethinamate

1-Ethynylcyclohexanol carbamic acid

C9H13NO2 (167.0946)


Ethinamate is a short-acting sedative-hypnotic medication used to treat insomnia. Regular use leads to tolerance, and it is usually not effective for more than 7 days. Structurally, it does not resemble the barbituates, but it shares many effects with this class of drugs; the depressant effects of ethinamate are, however, generally milder than those of most barbiturates. C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

Ethotoin

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

C11H12N2O2 (204.0899)


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

   

Propoxycaine

2-(Diethylamino)ethyl 4-amino-2-propoxybenzoic acid

C16H26N2O3 (294.1943)


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

   

Butoconazole

1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulphanyl)-butyl]-1H-imidazole

C19H17Cl3N2S (410.0178)


Butoconazole is only found in individuals that have used or taken this drug. It is an imidazole antifungal used in gynecology.The exact mechanism of the antifungal action of butoconazole is unknown, however, it is presumed to function as other imidazole derivatives via inhibition of steroid synthesis. Imidazoles generally inhibit the conversion of lanosterol to ergosterol via the inhibition of the enzyme cytochrome P450 14α-demethylase, resulting in a change in fungal cell membrane lipid composition. This structural change alters cell permeability and, ultimately, results in the osmotic disruption or growth inhibition of the fungal cell. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

Thial-1-Propene-1-thiol S-oxide

Thial-1-Propene-1-thiol S-oxide

C3H6OS (90.0139)


Lachrymatory factor of onion (Allium cepa). Thial-1-Propene-1-thiol S-oxide is found in garden onion and onion-family vegetables. Thial-1-Propene-1-thiol S-oxide is found in garden onion. Lachrymatory factor of onion (Allium cepa).

   

2-Propanethiol

1-Methylethanethiol

C3H8S (76.0347)


2-Propanethiol, also known as 2-mercaptopropane or 2-propylmercaptan, belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. It can also be prepared by the reaction of sodium hydrosulfide with 1-chloropropane. 2-Propanethiol is a strong, gassy, and meaty tasting compound. 2-propanethiol has been detected, but not quantified, in potato. This could make 2-propanethiol a potential biomarker for the consumption of these foods. Propanethiol is an organic compound with the molecular formula C3H8S. Propanethiol is chemically classified among the thiols, which are organic compounds with molecular formulas and structural formulas similar to alcohols, except that sulfur-containing sulfhydryl group (-SH) replaces the oxygen-containing hydroxyl group in the molecule. It is highly flammable and it gives off irritating or toxic fumes (or gases) in a fire. It is a colorless liquid with a strong, offensive odor. Propanethiols basic molecular formula is C3H7SH, and its structural formula is similar to that of the alcohol n-propanol. Propanethiol is manufactured commercially by the reaction of propene with hydrogen sulfide with ultraviolet light initiation in an anti-Markovnikov addition. It is moderately toxic and is less dense than water and slightly soluble in water. It is used as a feedstock for insecticides. Food additive listed on the EAFUS Food Additive Database (Jan. 2001). 2-Propanethiol is found in potato.

   

Eutypine

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

C12H10O2 (186.0681)


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

   

Miserotoxin

ZINC01531158

C9H17NO8 (267.0954)


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

   
   

Asclepin

3-O-Acetylcalotropin

C31H42O10 (574.2778)


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

   
   

Parillin

2-[(4-hydroxy-6-{5,7,9,13-tetramethyl-5-oxaspiro[oxane-2,6-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5454)


Parillin is found in herbs and spices. Parillin is a constituent of Mexican sarsaparilla root (Smilax aristolochiaefolia). Constituent of Mexican sarsaparilla root (Smilax aristolochiaefolia). Parillin is found in herbs and spices.

   

Psychotridine

Psychotridine

C55H62N10 (862.5159)


   

Leptodactylone

8-hydroxy-5,7-dimethoxy-chromen-2-one

C11H10O5 (222.0528)


   

Carnegine

(+-)-Carnegine

C13H19NO2 (221.1416)


   

Melampodin A

methyl (2E,4S,6R,7E,9S,10S,11S)-10-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate

C21H24O9 (420.142)


   
   

Isothebaine

4H-Dibenzo[de,g]quinolin-1-ol,5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (6aS)-

C19H21NO3 (311.1521)


   

Hernandulcin

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

C15H24O2 (236.1776)


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

   

Fulvoplumierin

Fulvoplumierin

C14H12O4 (244.0736)


   

Cinerin I

25402-06-6

C20H28O3 (316.2038)


   

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.

   
   

N-Acetylpuromycin

N-Acetylpuromycin

C24H31N7O6 (513.2336)


   

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

   

Allosedamine

(-)-Sedamine

C14H21NO (219.1623)


   
   

Kandelin A1

Cinchonain-1a-(4beta->8)-catechin

C39H32O15 (740.1741)


   

Echinone

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

C19H20O6 (344.126)


   

Isodiospyrin

[1,2-Binaphthalene]-5,5,8,8-tetrone, 1,4-dihydroxy-2,3-dimethyl-, (R)- (8CI); (1R)-1,4-Dihydroxy-2,3-dimethyl[1,2-binaphthalene]-5,5,8,8-tetrone; (-)-Isodiospyrin

C22H14O6 (374.079)


Isodiospyrin is a member of biphenyls. Isodiospyrin is a natural product found in Diospyros morrisiana, Diospyros verrucosa, and other organisms with data available. Isodiospyrin, a natural dimeric naphthoquinone, is a human DNA topoisomerase I (Topoisomerase) inhibitor. Isodiospyrin can prevent both DNA relaxation and kinase activities of human topoisomerase I. Isodiospyrin shows anticancer, antibacterial and antifungal activities[1][2][3]. Isodiospyrin, a natural dimeric naphthoquinone, is a human DNA topoisomerase I (Topoisomerase) inhibitor. Isodiospyrin can prevent both DNA relaxation and kinase activities of human topoisomerase I. Isodiospyrin shows anticancer, antibacterial and antifungal activities[1][2][3].

   

5-O-Methylembelin

2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione

C18H28O4 (308.1987)


5-O-Methylembelin is a constituent of Myrsine africana (cape myrtle). Constituent of Myrsine africana (cape myrtle) 5-O-Methylembelin is a natural isocoumarin that inhibits PCSK9, inducible degrader of the low-density lipoprotein receptor (IDLR), and sterol regulatory element binding protein 2 (SREBP2) mRNA expression[1].

   

Prenylbenzoquinone

2-Prenyl-1,4-benzoquinone

C11H12O2 (176.0837)


   

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.

   

crenatoside

Orobanchoside; Crenatoside

C29H34O15 (622.1898)


   

5-Demethoxydeoxypodophyllotoxin

5-Demethoxydeoxypodophyllotoxin

C21H20O6 (368.126)


D009676 - Noxae > D003603 - Cytotoxins D000970 - Antineoplastic Agents

   
   

Flindersiamine

8-Methoxy-6,7-methylenedioxydictamnine

C14H11NO5 (273.0637)


   

Maculine

1,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy-

C13H9NO4 (243.0532)


   

Alkaloid L

Cycloprotobuxine C

C27H48N2 (400.3817)


   

Grevillol

5-tridecylbenzene-1,3-diol

C19H32O2 (292.2402)


   

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).

   

Simplexoside

(+)-Piperitol beta-glucoside

C26H30O11 (518.1788)


   

Preforan

Benzene,2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)-

C13H7F3N2O5 (328.0307)


   

5-Methoxyhydnocarpin

5-Methoxyhydnocarpin-D

C26H22O10 (494.1213)


   

S-(PGA1)-glutathione

7-[(2R)-3-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-2-[(1E)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid

C30H49N3O10S (643.3138)


S-(PGA1)-glutathione is the gluthathione conjugate of prostaglanding A1. This conjugate is a substrate for MRP2 (31). PGA1 was observed to be able to inhibit. MRP2-mediated transport of DNP-SG quite well. S-(PGA1)-glutathione is the gluthathione conjugate of prostaglanding A1. This conjugate is a substrate for MRP2 (31). PGA1 was observed to be able to inhibit

   

S-(p-Azidophenacyl)glutathione

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

C18H22N6O7S (466.1271)


   

NAc-AAA-ME

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

C12H21N3O5 (287.1481)


   

Triazolealanine

1H-1,2,4-Triazole-5-propanoicacid, a-amino-

C5H8N4O2 (156.0647)


   

N-Ethylmaleimide-S-glutathione

N-Ethylmaleimide-S-glutathione

C16H22N4O8S (430.1158)


   

Lamtidine

Lamtidine

C18H28N6O (344.2324)


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

   

alpha-Methyl-m-tyrosine

2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid

C10H13NO3 (195.0895)


   

magnesium;methyl (3R,21S,22S)-11,16-bis(ethenyl)-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate

magnesium;methyl (3R,21S,22S)-11,16-bis(ethenyl)-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate

C55H70MgN4O5 (890.5196)


   

Narbonolide

Narbonolide

C20H32O5 (352.225)


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

   

Yemenine A

O-Demethylcrinamine 3-acetate

C18H19NO5 (329.1263)


   
   

Fe(CN)3

Fe(CN)3; Ferric cyanide; Iron cyanide (Fe(CN)3)

C3FeN3 (133.9442)


   
   

7-Deoxypancratistatin

7-Deoxypancratistatin

C14H15NO7 (309.0848)


   

Cyclohexyl acetate

Cyclohexyl ester OF acetic acid

C8H14O2 (142.0994)


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

   

Dehydrorabelomycin

6-Hydroxytetrangulol

C19H12O5 (320.0685)


   

Zinc oxide

zinc hydrate

ZnO (79.9241)


Same as: D01170

   

3,4,6-TRICHLOROCATECHOL

3,4,6-TRICHLOROCATECHOL

C6H3Cl3O2 (211.9199)


   

Spiramycin II

acetylspiramycin

C45H76N2O15 (884.5245)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007933 - Leucomycins A macrolide antibiotic produced by various Streptomyces species. Same as: D02420

   

Lagosin

Fungichromin

C35H58O12 (670.3928)


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

   

Demanyl phosphate

Phosphodimethylethanolamine

C4H12NO4P (169.0504)


   

Monobromobisphenol A

3-Monobromobisphenol A

C15H15BrO2 (306.0255)


   

Thio-THIP

Thio-4,5,6,7-tetrahydroisoxazolo(5,4-c)pyridin-3-ol

C6H8N2OS (156.0357)


   

Sulfoacetic acid

2-Sulphoacetic acid

C2H4O5S (139.9779)


   

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

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

C12H6Cl4O2 (321.9122)


   

3-Deoxyestradiol

3-Deoxy-17beta-estradiol

C18H24O (256.1827)


   

3-Chlorophenol

3-Chlorophenol

C6H5ClO (128.0029)


   

Diphenolic acid

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

C17H18O4 (286.1205)


   

ZR-515

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

C19H34O3 (310.2508)


Same as: D08200

   

1,2-Dimethylnaphthalene

1,2-DIMETHYLNAPHTHALENE

C12H12 (156.0939)


   

2,3,4-Trichlorobiphenyl

1,2,3-trichloro-4-phenylbenzene

C12H7Cl3 (255.9613)


   

PCB 48

2,2,4,5-tetrachlorobiphenyl

C12H6Cl4 (289.9224)


   

2,2,4,6-Tetrachloro-4-biphenylol

4-Hydroxy-2,2,4,6-tetrachlorobiphenyl

C12H6Cl4O (305.9173)


D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

   

16-Ketoestradiol

(1S,10R,11S,14R,15S)-5,14-dihydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-13-one

C18H22O3 (286.1569)


16-Ketoestradiol is found in the estrogen patch. The estrogen patch is a delivery system for estradiol used as hormone replacement therapy to treat the symptoms of menopause, such as hot flashes and vaginal dryness, and to prevent osteoporosis. Originally marketed as Vivelle (Novartis), it was discontinued in 2003 and reintroduced in a smaller form as Vivelle-Dot. Although the estrogen is given transdermally rather than in the standard oral tablets, the estrogen patch carries similar risks and benefits as more conventional forms of estrogen-only hormone replacement therapy. [HMDB] 16-Ketoestradiol is found in the estrogen patch. The estrogen patch is a delivery system for estradiol used as hormone replacement therapy to treat the symptoms of menopause, such as hot flashes and vaginal dryness, and to prevent osteoporosis. Originally marketed as Vivelle (Novartis), it was discontinued in 2003 and reintroduced in a smaller form as Vivelle-Dot. Although the estrogen is given transdermally rather than in the standard oral tablets, the estrogen patch carries similar risks and benefits as more conventional forms of estrogen-only hormone replacement therapy. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

5-Diazouracil

5-Diazouracil; 2,6-Dioxo-5-diazopyrimidine

C4H2N4O2 (138.0178)


   

Didecyl phthalate

1,2-bis(decyl) benzene-1,2-dicarboxylate

C28H46O4 (446.3396)


   

4-t-Butylbenzoic acid

p-tert-Butylbenzoic acid

C11H14O2 (178.0994)


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

   

4-chlorochalcone

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

C15H11ClO (242.0498)


   

Androstane-3,17-diol dipropionate

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

C25H40O4 (404.2926)


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

   

Oxymesterone

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

C20H30O3 (318.2195)


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

   

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

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

C19H16I2O3 (545.9189)


   

3'-Hydroxyflavanone

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

C15H12O3 (240.0786)


   

16beta-Estradiol

13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol

C18H24O2 (272.1776)


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

   

Decylubiquinol

2-Decyl-5,6-dimethoxy-3-methyl-1,4-benzenediol

C19H32O4 (324.23)


   

CHALCOMYCIN

(1R,2R,3R,6E,8S,9S,10S,12S,14E,16R)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione

C35H56O14 (700.367)


   
   

Coelichelin

Coelichelin

C21H39N7O11 (565.2707)


A tetrapeptide hydroxamate siderophore that is isolated from Streptomyces coelicolor.

   

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.

   

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.

   

Hydroxyspheroidene

3,4-Didehydro-1,1,2,2,7,8-hexahydro-1-hydroxy-1-methoxy-psi,psi-carotene

C41H62O2 (586.475)


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

   
   

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

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.

   

6alpha-Hydroxymaackiain

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

C16H12O6 (300.0634)


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

   

2,6-Dibromophenol

2,6-Dibromo-phenol

C6H4Br2O (249.8629)


2,6-Dibromophenol is found in crustaceans. 2,6-Dibromophenol is an important flavour component of marine fish, molluses and crustacean 2,6-Dibromophenol is an endogenous metabolite.

   

(+)-epi-Isozizaene

(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene

C15H24 (204.1878)


   

Thiobenzamide S-oxide

Phenyl(sulphinylidene)methanamine

C7H7NOS (153.0248)


   

Fructoselysine 6-phosphate

Fructoselysine 6-phosphate

C12H25N2O10P (388.1247)


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

   

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

   

7-Oxoheptanoic acid

7-Ketoheptanoic acid

C7H12O3 (144.0786)


   

6-Mercaptopurine ribonucleoside triphosphate

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

C10H15N4O13P3S (523.9569)


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

   

2-PSA

2-PROPYL SUCCINIC ACID

C7H12O4 (160.0736)


   

Jasmolin I

(1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

C21H30O3 (330.2195)


   

Hydnocarpic acid

11-[(1R)-cyclopent-2-en-1-yl]undecanoic acid

C16H28O2 (252.2089)


An optically active form of hydnocarpic acid having (R)-configuration. A cyclopentenyl fatty acid consisting of undecanoic acid having a cyclopent-2-enyl group at the 11-position.

   

Hydroxypyruvaldehyde phosphate

Hydroxypyruvaldehyde phosphate

C3H5O6P (167.9824)


   

Gonyautoxin II

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

C10H17N7O8S (395.0859)


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

   

carthamidin

4,5,7,8-TETRAHYDROXYFLAVANONE

C15H12O6 (288.0634)


   

2-(3-methylthio)propylmalate

2-(3-Methylthio)propylmalic acid

C8H14O5S (222.0562)


   

Ophiopogonone A

Ophiopogonone A

C18H14O6 (326.079)


   

Platycodin C

3O-acetylplatycodin D

C59H94O29 (1266.588)


   

Germacrone 4,5-epoxide

(6Z)-6,10-dimethyl-3-(propan-2-ylidene)-11-oxabicyclo[8.1.0]undec-6-en-4-one

C15H22O2 (234.162)


Germacrone 4,5-epoxide is found in turmeric. Germacrone 4,5-epoxide is a constituent of essential oil of Curcuma zedoaria (zedoary) Constituent of essential oil of Curcuma zedoaria (zedoary). Germacrone 4,5-epoxide is found in turmeric.

   

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)


   

Multifloein B

Multifloein B

C27H30O15 (594.1585)


   
   

N-Acetylphinothricin

N-Acetyl-L-phosphinothricin

C7H14NO5P (223.061)


   

5alpha-Dihydrodeoxycorticosterone

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

C21H32O3 (332.2351)


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

   

(S)-3-Hydroxyisobutyryl-CoA

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

C25H42N7O18P3S (853.152)


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

   

1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-

1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-

C10H18O2 (170.1307)


P-mentha-8(9)-en-1,2-diol, also known as 1-methyl-4-(1-methylethenyl)-1,2-cyclohexanediol, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. P-mentha-8(9)-en-1,2-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). P-mentha-8(9)-en-1,2-diol can be found in wild celery, which makes P-mentha-8(9)-en-1,2-diol a potential biomarker for the consumption of this food product.

   

Perseitol

D-glycero-D-galacto-Heptitol

C7H16O7 (212.0896)


   

Rosmarinic acid

(S)-rosmarinic acid

C18H16O8 (360.0845)


The (S)-stereoisomer of rosmarinic acid. The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.731 Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively. Rosmarinic acid is a widespread phenolic ester compound in the plants. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively.

   

Leucocyanidin

(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol

C15H14O7 (306.0739)


Leucocyanidin is a leucoanthocyanidin. Leucocyanidin is a natural product found in Euphorbia hirta, Koenigia coriaria, and Cassia roxburghii with data available. Leucocyanidin is an active anti-ulcerogenic ingredient was extracted from Litchi Chinensis. Leucocyanidin demonstrates a significant protective effect against Aspirin-induced erosions in rat models[1]. Leucocyanidin is an active anti-ulcerogenic ingredient was extracted from Litchi Chinensis. Leucocyanidin demonstrates a significant protective effect against Aspirin-induced erosions in rat models[1].

   

Ribonolactone

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

C5H8O5 (148.0372)


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

   

18R-HEPE

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

C20H30O3 (318.2195)


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

   

(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)

   

4-Methylpentanal

Isocaproaldehyde: 4-methyl-pentanal

C6H12O (100.0888)


4-Methylpentanal is an intermediate in the metabolism of C21-Steroid hormone. It is a substrate for Cytochrome P450 11A1 (mitochondrial). [HMDB] 4-Methylpentanal is an intermediate in the metabolism of C21-Steroid hormone. It is a substrate for Cytochrome P450 11A1 (mitochondrial).

   

N-Acetylneuraminic acid 9-phosphate

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

C11H20NO12P (389.0723)


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

   

Phosphodimethylethanolamine

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

C4H12NO4P (169.0504)


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

   

3'-Hydroxyhexobarbital

5-(3-hydroxycyclohex-1-en-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione

C12H16N2O4 (252.111)


3-Hydroxyhexobarbital is only found in individuals that have used or taken Hexobarbital. 3-Hydroxyhexobarbital is a metabolite of Hexobarbital. 3-hydroxyhexobarbital belongs to the family of Barbituric Acid Derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.

   

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.

   

L-Dopaquinone

2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid

C9H9NO4 (195.0532)


Implicated in food discolouration (enzymatic browning). Implicated in food discolouration (enzymatic browning)

   

Paromomycin I

5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol

C23H45N5O14 (615.2963)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

   

Monensin

4-[2-(5-ethyl-5-{5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl}oxolan-2-yl)-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid

C36H62O11 (670.4292)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D007476 - Ionophores > D061209 - Proton Ionophores D007476 - Ionophores > D061210 - Sodium Ionophores D049990 - Membrane Transport Modulators

   

1,2-Dichloroethylene

1,2-Dichloroethylene, (e)-isomer

C2H2Cl2 (95.9534)


   

2-Aminopropiophenone

Cathinone hydrochloride, (+-)-isomer

C9H11NO (149.0841)


D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs

   

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

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

C19H34O3 (310.2508)


   

2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid

4-Hydroxy-3-[(1-hydroxyethylidene)amino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate

C11H17NO8 (291.0954)


   

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

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

C17H18ClNO3S (351.0696)


   

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)


   

5-Diazouracil

5-(diazyn-1-ium-1-yl)-6-oxo-1,6-dihydropyrimidin-2-olate

C4H2N4O2 (138.0178)


   

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

   

7-[(1R,2R,3R)-3-Hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid

7-[(1R,2R,3R)-3-Hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid

C20H32O5 (352.225)


   

(3S,5R)-7-[3-(4-Fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid

(3S,5R)-7-[3-(4-Fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid

C24H26FNO4 (411.1846)


   

Fipexide

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

C20H21ClN2O4 (388.119)


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

   

Levopromazine

[3-(2-methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]dimethylamine

C19H24N2OS (328.1609)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Nocardicin A

2-Amino-4-{4-[({1-[carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}-C-hydroxycarbonimidoyl)(hydroxyimino)methyl]phenoxy}butanoate

C23H24N4O9 (500.1543)


   

Rifamycins

2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate

C37H45NO12 (695.2942)


   

Leucocyanidin

2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol

C15H14O7 (306.0739)


Leucocyanidin, also known as 3,3,4,4,5,7-flavanhexol or resivit, is a member of the class of compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Thus, leucocyanidin is considered to be a flavonoid lipid molecule. Leucocyanidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Leucocyanidin can be found in a number of food items such as climbing bean, black mulberry, corn salad, and caraway, which makes leucocyanidin a potential biomarker for the consumption of these food products. Leucocyanidin is a colorless chemical compound that is a member of the class of natural products known as leucoanthocyanidins . Leucocyanidin is an active anti-ulcerogenic ingredient was extracted from Litchi Chinensis. Leucocyanidin demonstrates a significant protective effect against Aspirin-induced erosions in rat models[1]. Leucocyanidin is an active anti-ulcerogenic ingredient was extracted from Litchi Chinensis. Leucocyanidin demonstrates a significant protective effect against Aspirin-induced erosions in rat models[1].

   

(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.

   

Henine

1,3-dihydroxy-2-(hydroxymethyl)-9,10-dihydroanthracene-9,10-dione

C15H10O5 (270.0528)


Lucidin is a dihydroxyanthraquinone. Lucidin is a natural product found in Rubia argyi, Ophiorrhiza pumila, and other organisms with data available. Lucidin (NSC 30546) is a natural component of madder and can induce mutations in bacterial and mammalian cells. Lucidin (NSC 30546) is a natural component of madder and can induce mutations in bacterial and mammalian cells.

   

1ST14177

(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, (3Z,6R,14aR,14bR)-

C18H23NO5 (333.1576)


Seneciphylline is a white powder. (NTP, 1992) LSM-2853 is a citraconoyl group. Seneciphylline is a natural product found in Senecio bollei, Tussilago farfara, and other organisms with data available. Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].

   

2,4-DICHLOROBENZOIC ACID

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.

   

Acerosin

5,7-Dihydroxy-2- (3-hydroxy-4-methoxyphenyl) -6,8-dimethoxy-4H-1-benzopyran-4-one

C18H16O8 (360.0845)


A trihydroxyflavone that is 5,7,3-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4 respectively.

   

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.

   

multiflorin B

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

C27H30O15 (594.1585)


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

   

9,10-EPOXYSTEARIC ACID

2-Oxiraneoctanoic acid,3-octyl-

C18H34O3 (298.2508)


   

4-Hydroxy-L-glutamic acid

2-amino-4-hydroxypentanedioic acid

C5H9NO5 (163.0481)


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

   

fipexide

fipexide

C20H21ClN2O4 (388.119)


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

   

2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

C12H10O4 (218.0579)


   

(S)-2-Propylpiperidine

Cicutin; Cicutine; Conicine;(S)-2-Propylpiperidine;(S)-beta-Propylpiperidine

C8H17N (127.1361)


Coniine is a natural product found in Conium, Sarracenia flava, and other organisms with data available. (S)-2-Propylpiperidine is found in black elderberry. (S)-2-Propylpiperidine is an alkaloid of Amorphophalus rivieri (devils tongue). (S)-2-Propylpiperidine belongs to the family of Alkaloids and Derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. (S)-2-Propylpiperidine is found in black elderberry. (S)-2-Propylpiperidine is an alkaloid of Amorphophalus rivieri (devils tongue Alkaloid of Amorphophalus rivieri (devils tongue). (S)-2-Propylpiperidine is found in pomegranate and black elderberry.

   

ACon1_000409

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

C15H12O6 (288.0634)


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

   

Glaucine, dl

4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0(2),?.0(1)(3),(1)?]heptadeca-1(16),2,4,6,13(17),14-hexaene

C21H25NO4 (355.1783)


1,2,9,10-Tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is a natural product found in Sarcocapnos baetica, Sarcocapnos saetabensis, and other organisms with data available.

   

5-O-Methylembelin

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-undecyl-

C18H28O4 (308.1987)


5-O-methyl embelin is a member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease. It has a role as a metabolite, a hepatitis C protease inhibitor, an antileishmanial agent and an antineoplastic agent. It is an enol ether and a member of monohydroxy-1,4-benzoquinones. It is functionally related to an embelin. 5-O-Methylembelin is a natural product found in Lysimachia punctata, Embelia schimperi, and other organisms with data available. 5-O-Methylembelin is a constituent of Myrsine africana (cape myrtle). Constituent of Myrsine africana (cape myrtle) 5-O-Methylembelin is a natural isocoumarin that inhibits PCSK9, inducible degrader of the low-density lipoprotein receptor (IDLR), and sterol regulatory element binding protein 2 (SREBP2) mRNA expression[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

   

Metosulam

Metosulam

C14H13Cl2N5O4S (417.0065)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3172

   

Alanopine

IMINODIPROPIONIC ACID

C6H11NO4 (161.0688)


   

Isopyridoxal

Pyridoxal hydrochrolide

C8H9NO3 (167.0582)


A pyridinecarbaldehyde that is pyridine-5-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 4 respectively.

   

N-Acetyl-DL-aspartic acid

N-Acetyl-DL-aspartic acid

C6H9NO5 (175.0481)


   

Melilotoside

(E)-3-[2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]prop-2-enoic acid

C15H18O8 (326.1002)


   

1,3,7-Trimethyluric acid

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.

   

6-HYDROXYCAPROIC ACID

6-Hydroxyhexanoic acid

C6H12O3 (132.0786)


An omega-hydroxy fatty acid comprising hexanoic acid having a hydroxy group at the 6-position.

   

prazepam

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

   

2,5-Dihydroxybenzaldehyde

2,5-Dihydroxybenzaldehyde

C7H6O3 (138.0317)


A dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5. 2,5-Dihydroxybenzaldehyde (Gentisaldehyde) is a naturally occurring antimicrobial that inhibits the growth of Mycobacterium avium subsp. paratuberculosis. 2,5-Dihydroxybenzaldehyde is active against S. aureus strains with a MIC50 of 500 mg/L[1][2].

   

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

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

C15H18O7 (310.1052)


   

3-Ketocholanic acid

3-Ketocholanic acid

C24H38O3 (374.2821)


CONFIDENCE standard compound; INTERNAL_ID 76

   

Cloransulam-methyl

Cloransulam-methyl

C15H13ClFN5O5S (429.031)


Pre- and post-emergence broad-leaved herbicide for use in soya beans

   

Thifensulfuron-methyl

Thifensulfuron-methyl

C12H13N5O6S2 (387.0307)


   

12-HETE-[d8]

12-HETE-[d8]

C20H32O3 (320.2351)


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

   

4-Hydroxycyclohexanecarboxylic acid

trans-4-Hydroxycyclohexanecarboxylic acid

C7H12O3 (144.0786)


4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].

   

2-Aminobenzenesulfonic acid

2-Aminobenzenesulfonic acid

C6H7NO3S (173.0147)


2-Aminobenzenesulfonic acid is an endogenous metabolite.

   

2-Aminopropiophenone

2-Aminopropiophenone

C9H11NO (149.0841)


D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs

   

Hydroxycyclohexane-carboxylic Acid

trans-4-Hydroxycyclohexanecarboxylic acid

C7H12O3 (144.0786)


4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].

   

7,8-Dihydro-L-biopterin

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

C9H13N5O3 (239.1018)


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

   

Arecatannin A3

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

C75H62O30 (1442.3326)


   

L-dopaquinone

2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid

C9H9NO4 (195.0532)


   

3-oxodecanoyl-CoA

3-oxodecanoyl-CoA

C31H52N7O18P3S (935.2302)


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

   

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 16:2

11-(2-cyclopenten-1-yl)undecanoic acid

C16H28O2 (252.2089)


   

Iminoaspartic acid

2-imino-butanedioic acid

C4H5NO4 (131.0219)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids A succinic acid derivative having an imino group at the 2-position.

   

8R-HPETE

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

C20H32O4 (336.23)


   

18R-HEPE

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

C20H30O3 (318.2195)


An 18-HEPE that consists of (5Z,8Z,11Z,14Z,16E)-icosapentaenoic in which the 18-hydroxy group has R-configuration.

   

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 10:1;O

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

C31H52N7O18P3S (935.2302)


   

anthraniloyl-CoA

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

C28H41N8O17P3S (886.1523)


A member of the class of benzoyl-CoAs having 2-aminobenzoyl as the S-acyl group.

   

CoA 20:0

Arachidoyl-CoA

C41H74N7O17P3S (1061.4075)


   

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.

   

Fecosterol

24-methylene-5alpha-cholest-8-en-3beta-ol

C28H46O (398.3548)


A 3beta-sterol having a 5alpha-ergostane skeleton with a methylidene group at C-24 and double bonds at the C-8 and C-24(28) positions.

   

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

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

C48H78N7O20P3S (1197.4235)


   

(+)-cis-sabinol

(1S,3R,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol

C10H16O (152.1201)


   

Limonene-1,2-epoxide

Limonene-1,2-epoxide

C10H16O (152.1201)


   

6-Demethylsterigmatocystin

6-Demethylsterigmatocystin

C17H10O6 (310.0477)


   

carthamidin

4,5,7,8-TETRAHYDROXYFLAVANONE

C15H12O6 (288.0634)


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

   

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)


   

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.

   

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

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

C12H14O3 (206.0943)


   

Protirelina

Protirelina

C16H22N6O4 (362.1702)


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

   

17-Hydroxyandrost-4-en-3-one

17-Hydroxyandrost-4-en-3-one

C19H28O2 (288.2089)


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

   

H-DL-gGlu-DL-Cys(MeOH)-Gly-OH

H-DL-gGlu-DL-Cys(MeOH)-Gly-OH

C11H19N3O7S (337.0944)


D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials

   

4-tert-Butylbenzoic acid

4-tert-Butylbenzoic acid

C11H14O2 (178.0994)


   

90-29-9

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

C16H10O5 (282.0528)


   

LS-2924

5-17-09-00404 (Beilstein Handbook Reference)

C6H6O2 (110.0368)


   

AI3-23961

m-Chlorophenol, liquid [UN2021] [Keep away from food]

C6H5ClO (128.0029)


   

FR-0906

1,2-Benzenedicarboxylic acid, diheptyl ester, branched and linear

C22H34O4 (362.2457)


   

multiflorin

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

C27H30O15 (594.1585)


   

75-86-5

Acetone cyanohydrin, stabilized [UN1541] [Poison]

C4H7NO (85.0528)


   

Makisterone A

Makisterone A

C28H46O7 (494.3243)


   

CHEBI:46996

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

C5H10O5 (150.0528)


   

LS-2404

InChI=1\C8H8O\c1-7-4-2-3-5-8(7)6-9\h2-6H,1H

C8H8O (120.0575)


   

N-Acetyl-ala-ala-ala-methylester

N-Acetyl-ala-ala-ala-methylester

C12H21N3O5 (287.1481)


   

Ferric cyanide

Ferric cyanide

C3FeN3 (133.9442)


   

(1R,2R,3R,6E,8S,9S,10S,12S,14E,16R)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione

(1R,2R,3R,6E,8S,9S,10S,12S,14E,16R)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione

C35H56O14 (700.367)


   

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)


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). C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

ethotoin

ethotoin

C11H12N2O2 (204.0899)


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

   

Ethinamate

Ethinamate

C9H13NO2 (167.0946)


C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

triclofos

triclofos

C2H4Cl3O4P (227.8913)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

Acetone cyanohydrin

Acetone cyanohydrin

C4H7NO (85.0528)


   

2-Methylbenzaldehyde

2-Methylbenzaldehyde

C8H8O (120.0575)


   

2-Propanethiol

2-Propanethiol

C3H8S (76.0347)


   

propiomazine

propiomazine

C20H24N2OS (340.1609)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

   

Magnesium chloride

Magnesium chloride

Cl2Mg (93.9228)


C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent

   

chlorohydroquinone

chlorohydroquinone

C6H5ClO2 (143.9978)


A benzenediol that consists of hydroquinone bearing a single chloro substituent.

   

2-Butyne-1,4-diol

2-Butyne-1,4-diol

C4H6O2 (86.0368)


   

4-methylpentanal

4-methylpentanal

C6H12O (100.0888)


   

Isopropamide

Isopropamide

C23H33N2O+ (353.2593)


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

   

(S)-2-Propylpiperidine

(S)-2-Propylpiperidine

C8H17N (127.1361)


   

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

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

C10H18O2 (170.1307)


   

Butoconazole

Butoconazole

C19H17Cl3N2S (410.0178)


G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

phthalylsulfathiazole

phthalylsulfathiazole

C17H13N3O5S2 (403.0297)


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

   

M-toluic Acid

3-Methylbenzoic acid

C8H8O2 (136.0524)


A methylbenzoic acid carrying a methyl substituent at position 3.

   

Glurate

4-Acetylbutyric acid

C6H10O3 (130.063)


   
   

Propoxycaine

Propoxycaine

C16H26N2O3 (294.1943)


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

   

Hypoglycin a

Hypoglycin a

C7H11NO2 (141.079)


A diastereoisomeric mixture of (2S,4R)- and (2S,4S)- hypoglycin A, found in the edible part of the fruit of the Ackee, Blighia sapida (where the 2S,4R diastereoisomer is more dominant (17\\% d.e.) than its 2S,4S counterpart) as well as in the sycamore maple tree (Acer pseudoplatanus). D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins

   

Difenoxin

Difenoxin

C28H28N2O2 (424.2151)


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

   

Isovaleryl-CoA

Isovaleryl-CoA

C26H44N7O17P3S (851.1727)


A methylbutanoyl-CoA is the S-isovaleryl derivative of coenzyme A.

   

2-HYDROXYETHYL PHOSPHONIC ACID

(2-Hydroxyethyl)phosphonic acid

C2H7O4P (126.0082)


   

8-p-Menthene-1,2-diol

1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-

C10H18O2 (170.1307)


   

2-NAPHTHALENEMETHANOL

2-NAPHTHALENEMETHANOL

C11H10O (158.0732)


   

2-Butynedioic acid

Acetylenedicarboxylic acid

C4H2O4 (113.9953)


   

5-oxopentanoic acid

5-oxopentanoic acid

C5H8O3 (116.0473)


An oxopentanoic acid with the oxo group in the 5-position.

   

Deoxycytidine diphosphate

Deoxycytidine diphosphate

C9H15N3O10P2 (387.0233)


A 2-deoxycytidine phosphate that is the 2- deoxy derivative of cytidine 5-diphosphate (CDP).

   

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-Methylbenzyl cyanide

2-(o-Tolyl)acetonitrile

C9H9N (131.0735)


   

butirosin A

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

   

O-Methylsterigmatocystin

O-Methylsterigmatocystin

C19H14O6 (338.079)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   
   

D-Arabinono-1,4-lactone

D-Arabinono-1,4-lactone

C5H8O5 (148.0372)


   

N,N-Dimethylaniline N-oxide

N,N-Dimethylaniline N-oxide

C8H11NO (137.0841)


   

2-Deoxyinosine 5-monophosphate

2-Deoxyinosine 5-monophosphate

C10H13N4O7P (332.0522)


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

   

1-sulfinylpropane

Propanethial S-oxide, (1Z)-

C3H6OS (90.0139)


   

(2E)-2,6-dimethylocta-2,7-diene-1,6-diol

(2E)-2,6-dimethylocta-2,7-diene-1,6-diol

C10H18O2 (170.1307)


   

3-hydroxy-2-methylpropanoyl-CoA

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)


   

(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid

(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid

C11H15NO8 (289.0798)


   

N-Acetylneuraminic acid 9-phosphate

N-Acetylneuraminic acid 9-phosphate

C11H20NO12P (389.0723)


   

3-Methylguanine

6H-Purin-6-one,2-amino-3,9-dihydro-3-methyl-

C6H7N5O (165.0651)


A 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.

   

Oxaluric acid

3-OXALURIC ACID

C3H4N2O4 (132.0171)


A 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom.

   

Allophanic acid

Allophanic acid

C2H4N2O3 (104.0222)


   

10-Formyldihydrofolate

10-Formyldihydrofolate

C20H21N7O7 (471.1502)


   

PRFAR

5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide

C15H25N5O15P2 (577.0822)


   

(S)-3-Hydroxydecanoyl-CoA

(S)-3-Hydroxydecanoyl-CoA

C31H54N7O18P3S (937.2459)


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

   

(S)-Ureidoglycolate

(S)-Ureidoglycolate

C3H6N2O4 (134.0328)


   

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

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

C17H16O2 (252.115)


   

D-fructofuranose 1-phosphate

D-fructofuranose 1-phosphate

C6H13O9P (260.0297)


The furanose form of D-fructose 1-phosphate.

   

2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid

cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid

C7H7NO5 (185.0324)


The cis,cis-isomer of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid.

   

Hernandulcin

Hernandulcin

C15H24O2 (236.1776)


   

but-3-ynal

but-3-ynal

C4H4O (68.0262)


A butynal which has a monosubstituted triple bond.

   

(R)-(1-Aminoethyl)phosphonic acid

[(1r)-1-Aminoethyl]phosphonic acid

C2H8NO3P (125.0242)


   

(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid

(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid

C7H10O7 (206.0427)


A 3-hydroxybutane-1,2,3-tricarboxylic acid which has (2S,3R) configuration.

   

5alpha-dihydrodeoxycorticosterone

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

C21H32O3 (332.2351)


   

Cmp-2-keto-3-deoxy-octulosonic acid

Cmp-2-keto-3-deoxy-octulosonic acid

C17H26N3O15P (543.1101)


   

5-Formimidoyltetrahydrofolic acid

5-Formimidoyltetrahydrofolic acid

C20H24N8O6 (472.1819)


The 5-formimidoyl derivative of tetrahydrofolic acid.

   

phosphonoacetaldehyde

phosphonoacetaldehyde

C2H5O4P (123.9925)


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

   

Quercetin 3-sulfate

Quercetin 3-sulfate

C15H10O10S (381.9995)


   

Pollinastanol

Pollinastanol

C28H48O (400.3705)


   

Thiourocanic acid

Thiourocanic acid

C6H6N2O2S (170.015)


   

(3S)-3,6-Diaminohexanoic acid

(3S)-3,6-Diaminohexanoic acid

C6H14N2O2 (146.1055)


   

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-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole

C18H20Cl2N2O3 (382.0851)


   

3O-acetylplatycodin D

3O-acetylplatycodin D

C59H94O29 (1266.588)


A natural product found in Platycodon grandiflorum.

   

2-(3-methylthiopropyl)malic acid

2-(3-methylthiopropyl)malic acid

C8H14O5S (222.0562)


   

Xanthosine 5-(trihydrogen diphosphate)

Xanthosine 5-(trihydrogen diphosphate)

C10H14N4O12P2 (444.0083)


   

N-(Carboxymethyl)-D-alanine

N-(Carboxymethyl)-D-alanine

C5H9NO4 (147.0532)


   
   
   

Calystegin b2

Calystegin b2

C7H13NO4 (175.0845)


   
   

3-O-Acetylhamayne

3-O-Acetylhamayne

C18H19NO5 (329.1263)


   

8(R)-HPETE

8(R)-HPETE

C20H32O4 (336.23)


The (R)-enantiomer of 8-HPETE.

   

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

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

C12H10O3S (234.0351)


   

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

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

C6H9N5O2 (183.0756)


   

2-Oxosuccinamic acid

2-Oxosuccinamic acid

C4H5NO4 (131.0219)


   

Clavaminic acid

Clavaminic acid

C8H10N2O4 (198.0641)


   

Calystegin A3

Calystegin A3

C7H13NO3 (159.0895)


   

[[(2R,3S,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[(2R,3S,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C10H15N4O14P3 (507.9798)


   

(+)-galbacin

(+)-galbacin

C20H20O5 (340.1311)


   

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

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

C16H21N3O3 (303.1583)


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

   

5-Methyl-5,6,7,8-tetrahydromethanopterin

5-Methyl-5,6,7,8-tetrahydromethanopterin

C31H47N6O16P (790.2786)


   

S-(PGA1)-glutathione

S-(PGA1)-glutathione

C30H49N3O10S (643.3138)


   

cis-trans-Iridodial

cis-trans-Iridodial

C10H16O2 (168.115)


   

4-HEPTYLPHENOL

4-N-HEPTYLPHENOL

C13H20O (192.1514)


   

Sulfoacetate

SULFOACETIC ACID

C2H4O5S (139.9779)


A carboxyalkanesulfonic acid that is the C-sulfo derivative of acetic acid.

   

Limonene oxide

(+)-limonene oxide

C10H16O (152.1201)


   

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)


   

3,4-Dehydrolycopene

all-trans-3,4-didehydrolycopene

C40H54 (534.4225)


   
   

DIHEPTYL PHTHALATE

DIHEPTYL PHTHALATE

C22H34O4 (362.2457)


   

CYCLOHEXYL ACETATE

CYCLOHEXYL ACETATE

C8H14O2 (142.0994)


   

2,6-DIBROMOPHENOL

2,6-DIBROMOPHENOL

C6H4Br2O (249.8629)


A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines. 2,6-Dibromophenol is an endogenous metabolite.

   

COUMACHLOR

COUMACHLOR

C19H15ClO4 (342.0659)


D006401 - Hematologic Agents > D000925 - Anticoagulants D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals

   

DIDECYL PHTHALATE

Didecyl 1,2-benzenedicarboxylate

C28H46O4 (446.3396)


   

1,2-DIMETHYLNAPHTHALENE

1,2-DIMETHYLNAPHTHALENE

C12H12 (156.0939)


   

Oranabol

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

C20H30O3 (318.2195)


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

   

PCB 21

2,3,4-Trichlorobiphenyl

C12H7Cl3 (255.9613)


   

(R)-2-(8,8-dimethyl-2,3,4,8-tetrahydropyrano[2,3-f]chromen-3-yl)-5-methoxyphenol

(R)-2-(8,8-dimethyl-2,3,4,8-tetrahydropyrano[2,3-f]chromen-3-yl)-5-methoxyphenol

C21H22O4 (338.1518)


   

16(R)-HETE

16(R)-HETE

C20H32O3 (320.2351)


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

   

6alpha-Hydroxymaackiain

6alpha-Hydroxymaackiain

C16H12O6 (300.0634)


   

(-)-Chimonanthine

(-)-Chimonanthine

C22H26N4 (346.2157)


   

Alcophosphamide

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

   

alpha-Methyl-m-tyrosine

DL-Phenylalanine, 3-hydroxy-a-methyl-

C10H13NO3 (195.0895)


   

6-Thioinosine-5-triphosphate

6-Mercaptopurine ribonucleoside triphosphate

C10H15N4O13P3S (523.9569)


   

5-Formiminotetrahydrofolate

5-Formiminotetrahydrofolate

C20H24N8O6 (472.1819)


   

Supinidine

Supinidine

C8H13NO (139.0997)


   

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

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

C6H13O7P (228.0399)


   

(+)-Germacrone-4,5-epoxide

(+)-Germacrone-4,5-epoxide

C15H22O2 (234.162)


   

Thiobenzamide S-oxide

Thiobenzamide S-oxide

C7H7NOS (153.0248)


   

1,5-Di-o-phosphonopent-2-ulose

1,5-Di-o-phosphonopent-2-ulose

C5H12O11P2 (309.9855)


   

Homocitric acid

Homocitric acid

C7H10O7 (206.0427)


   

DIISOPROPYL PHTHALATE

DIISOPROPYL PHTHALATE

C14H18O4 (250.1205)


   

N-acetylphosphinothricin

N-acetylphosphinothricin

C7H14NO5P (223.061)


   

Normorphinone, N-allyl-dihydro-14-hydroxy-

Normorphinone, N-allyl-dihydro-14-hydroxy-

C19H21NO4 (327.1471)


   

22-oxocholesterol

22-oxocholesterol

C27H44O2 (400.3341)


   

O4-phosphotyrosine

O-Phospho-DL-Tyrosine

C9H12NO6P (261.0402)


   

1,2-Dimyristoyl-rac-glycerol

1,2-Dimyristoyl-rac-glycerol

C31H60O5 (512.4441)


   

2-Hydroxy-6-oxo-2,4-heptadienoic acid

2-Hydroxy-6-oxo-2,4-heptadienoic acid

C7H8O4 (156.0423)


An alpha,beta-unsaturated monocarboxylic acid that is 2,4-heptadienoic acid substituted by hydroxy and oxo groups at positions 2 and 6 respectively.

   

N-acetylcitrulline

N-acetylcitrulline

C8H15N3O4 (217.1063)