Subcellular Location: Multi-pass membrane protein

Found 500 associated metabolites.

2726 associated genes. ABCA1, ABCA10, ABCA12, ABCA13, ABCA2, ABCA3, ABCA4, ABCA5, ABCA6, ABCA7, ABCA8, ABCA9, ABCB1, ABCB10, ABCB11, ABCB4, ABCB5, ABCB6, ABCB7, ABCB8, ABCB9, ABCC1, ABCC10, ABCC11, ABCC12, ABCC2, ABCC3, ABCC4, ABCC5, ABCC6, ABCC8, ABCC9, ABCD1, ABCD2, ABCD3, ABCD4, ABCG1, ABCG2, ABCG4, ABCG5, ABCG8, ABHD16A, ACAT1, ACAT2, ACER1, ACER2, ACER3, ACKR1, ACKR2, ACKR3, ACKR4, ADCY1, ADCY2, ADCY3, ADCY4, ADCY5, ADCY6, ADCY7, ADCY8, ADCY9, ADCYAP1R1, ADGRA1, ADGRA2, ADGRA3, ADGRB1, ADGRB2, ADGRB3, ADGRD1, ADGRD2, ADGRE1, ADGRE2, ADGRE3, ADGRE4P, ADGRE5, ADGRF1, ADGRF2, ADGRF3, ADGRF4, ADGRF5, ADGRG1, ADGRG2, ADGRG3, ADGRG4, ADGRG5, ADGRG6, ADGRG7, ADGRL2, ADGRL3, ADGRL4, ADGRV1, ADIPOR1, ADIPOR2, ADORA1, ADORA2A, ADORA3, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, ADRB1, ADRB2, ADRB3, ADTRP, AFG3L2, AGMO, AGPAT1, AGPAT2, AGPAT3, AGPAT4, AGPAT5, AGTR1, AGTR2, AGTRAP, AIG1, ALG10, ALG10B, ALG12, ALG3, ALG6, ALG8, ALG9, ALOX5AP, AMFR, ANKH, ANO1, ANO10, ANO2, ANO3, ANO4, ANO5, ANO6, ANO7, ANO8, ANO9, APC2, APH1A, APH1B, APOLD1, APOOL, AQP1, AQP10, AQP11, AQP12A, AQP12B, AQP2, AQP3, AQP4, AQP5, AQP6, AQP7, AQP7B, AQP8, AQP9, ARL6IP1, ARL6IP5, ARL6IP6, ARSH, ARV1, ASIC1, ASIC2, ASIC3, ASIC4, ASIC5, ASTN1, ASTN2, ATG9A, ATG9B, ATL1, ATL2, ATL3, ATP10A, ATP10B, ATP10D, ATP11A, ATP11B, ATP11C, ATP12A, ATP13A1, ATP13A2, ATP13A3, ATP13A4, ATP13A5, ATP1A1, ATP1A2, ATP1A3, ATP1A4, ATP2A1, ATP2A2, ATP2A3, ATP2B1, ATP2B2, ATP2B3, ATP2B4, ATP2C1, ATP2C2, ATP4A, ATP5MC1, ATP6V0A1, ATP6V0A2, ATP6V0A4, ATP6V0B, ATP6V0C, ATP6V0E1, ATP6V0E2, ATP7A, ATP7B, ATP8A1, ATP8A2, ATP8B1, ATP8B2, ATP8B3, ATP8B4, ATP9A, ATP9B, ATRAID, AVPR1A, AVPR1B, AVPR2, AWAT1, AWAT2, BCAP29, BCAP31, BCRP1, BDKRB1, BDKRB2, BEST1, BEST2, BEST3, BFAR, BLCAP, BRI3, BRI3BP, BRICD5, BSCL2, BSND, BVES, C3AR1, C5AR1, C5AR2, C6orf147, C8A, C9, CACFD1, CACNA1A, CACNA1B, CACNA1C, CACNA1D, CACNA1E, CACNA1F, CACNA1G, CACNA1H, CACNA1I, CACNA1S, CACNG1, CACNG3, CACNG4, CACNG5, CACNG6, CACNG7, CACNG8, CALCR, CALCRL, CALHM1, CALHM2, CALHM3, CALHM4, CALHM5, CALHM6, CAMLG, CASD1, CASR, CATSPER1, CATSPER2, CATSPER3, CATSPER4, CCDC51, CCKBR, CCR1, CCR2, CCR3, CCR4, CCR5, CCR6, CCR7, CCR9, CCRL2, CD151, CD36, CD37, CD47, CD63, CD81, CD82, CD9, CDAN1, CDIPT, CDS1, CDS2, CELSR1, CEPT1, CERS1, CERS2, CERS3, CERS4, CERS5, CERS6, CFTR, CH25H, CHD5, CHML, CHPT1, CHRFAM7A, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CHRNA1, CHRNA10, CHRNA2, CHRNA4, CHRNA5, CHRNA6, CHRNA7, CHRNA9, CHRNB1, CHRNB2, CHRND, CHRNG, CKLF, CKLF-CMTM1, CLCC1, CLCN1, CLCN2, CLCN3, CLCN4, CLCN5, CLCN6, CLCN7, CLCNKA, CLCNKB, CLDN1, CLDN10, CLDN11, CLDN12, CLDN15, CLDN16, CLDN17, CLDN18, CLDN19, CLDN2, CLDN20, CLDN22, CLDN23, CLDN24, CLDN25, CLDN3, CLDN34, CLDN4, CLDN5, CLDN6, CLDN7, CLDN8, CLDN9, CLDND1, CLDND2, CLN3, CLN6, CLN8, CLPTM1, CLPTM1L, CLRN1, CLRN2, CLRN3, CMKLR1, CMKLR2, CMTM1, CMTM3, CMTM4, CMTM6, CMTM7, CNEP1R1, CNGA1, CNGA2, CNGA3, CNGA4, CNGB1, CNGB3, CNIH1, CNIH2, CNIH3, CNIH4, CNNM1, CNNM2, CNNM3, CNNM4, CNR1, COQ2, COX10, COX15, COX18, COX20, CPLANE1, CPT1A, CPT1B, CPT1C, CRELD1, CRHR1, CRHR2, CRLS1, CSMD3, CTAGE1, CTNS, CWH43, CX3CR1, CXCR2, CXCR3, CXCR4, CXCR6, CYB561, CYB561A3, CYB561D1, CYB561D2, CYBB, CYBRD1, CYP19A1, CYP2D7, CYP2U1, CYP39A1, CYP7B1, CYSLTR2, DAD1, DAGLA, DAGLB, DAPL1, DCAF17, DCHS2, DCST1, DCST2, DCSTAMP, DEGS1, DEGS2, DERL1, DERL2, DERL3, DGAT1, DGAT2, DGAT2L6, DHCR7, DHRS3, DISP1, DISP2, DISP3, DMAC1, DNAJC14, DNAJC22, DNAJC25, DOLK, DOLPP1, DPAGT1, DPM2, DPM3, DPY19L1, DPY19L2, DPY19L2P1, DPY19L2P2, DPY19L3, DPY19L4, DRAM1, DRAM2, DRD1, DRD2, DRD3, DRD4, DSE, DSEL, DUOX1, DUOX2, DUOXA1, DUOXA2, DUS4L-BCAP29, EBP, EBPL, EDNRB, EI24, ELOVL1, ELOVL2, ELOVL3, ELOVL4, ELOVL5, ELOVL6, ELOVL7, EMC3, EMC4, EMC6, EMP1, EMP2, EMP3, ENTPD1, ENTPD3, ENTPD4, ENTPD7, ENTPD8, ENTREP2, ENTREP3, ERG, ERG28, ERGIC1, ERGIC2, ERGIC3, ERMARD, ERMP1, ERVV-2, ESYT1, ESYT2, ESYT3, F2R, F2RL1, F2RL2, FA2H, FAAH, FADS1, FADS2, FADS2B, FADS3, FADS6, FAIM2, FAM168B, FAM210B, FAM87A, FAM8A1, FAXDC2, FBP2, FDFT1, FFAR1, FFAR2, FFAR3, FFAR4, FITM1, FITM2, FLOT1, FLVCR1, FLVCR2, FMR1NB, FPR1, FPR2, FRRS1, FSHR, FUNDC1, FUNDC2, FZD1, FZD10, FZD2, FZD3, FZD4, FZD5, FZD6, FZD7, FZD8, FZD9, G6PC1, G6PC2, G6PC3, GABBR1, GABBR2, GABRA1, GABRA2, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GABRR1, GABRR2, GABRR3, GBP3, GC, GCGR, GDA, GDAP1, GDE1, GDPD1, GDPD3, GDPD4, GDPD5, GET1, GET1-SH3BGR, GGCX, GHITM, GHRHR, GHSR, GIPR, GJA1, GJA10, GJA3, GJA4, GJA5, GJA8, GJA9, GJB1, GJB2, GJB4, GJB5, GJB6, GJB7, GJC1, GJC3, GJD2, GJD3, GJD4, GJE1, GLP1R, GLP2R, GLRA1, GLRA2, GLRA3, GLRB, GNRHR, GOLT1A, GOLT1B, GOSR1, GPAA1, GPAM, GPAT2, GPAT3, GPAT4, GPBAR1, GPER1, GPM6A, GPM6B, GPR107, GPR108, GPR12, GPR132, GPR135, GPR137, GPR137B, GPR137C, GPR139, GPR141, GPR142, GPR143, GPR146, GPR149, GPR15, GPR151, GPR152, GPR155, GPR157, GPR158, GPR161, GPR162, GPR17, GPR171, GPR173, GPR176, GPR179, GPR18, GPR180, GPR183, GPR19, GPR20, GPR21, GPR22, GPR27, GPR3, GPR31, GPR32, GPR33, GPR34, GPR35, GPR37, GPR37L1, GPR4, GPR42, GPR45, GPR50, GPR52, GPR55, GPR6, GPR61, GPR62, GPR63, GPR65, GPR68, GPR75, GPR78, GPR83, GPR85, GPR87, GPR88, GPR89A, GPR89B, GPRC5A, GPRC5B, GPRC5C, GPRC5D, GPRC6A, GRAMD4, GRIA1, GRIA2, GRIA3, GRIA4, GRID1, GRID2, GRIK1, GRIK2, GRIK3, GRIK4, GRIK5, GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN3A, GRIN3B, GRINA, GRM1, GRM2, GRM3, GRM4, GRM5, GRM6, GRM7, GRM8, GRPR, GSDMA, GSDMB, GSDMC, GSDMD, GSDME, GSG1, GSG1L, GSG1L2, HACD1, HACD2, HACD3, HACD4, HAS1, HAS2, HAS3, HCAR1, HCAR2, HCAR3, HCN1, HCN2, HCN3, HCRTR1, HCRTR2, HERPUD1, HGSNAT, HHAT, HHATL, HIGD1A, HIGD1B, HIGD1C, HIGD2A, HIGD2B, HM13, HMGCR, HRH1, HRH2, HRH3, HSD17B12, HTR1A, HTR1B, HTR1D, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C, HTR3A, HTR3B, HTR3C, HTR3D, HTR3E, HTR4, HTR5A, HTR6, HTR7, HTT, HVCN1, HYAL4, ICMT, IER3IP1, IFI27, IFI27L1, IFI27L2, IFI6, IFITM10, IFITM5, IGSF1, IMP3, IMP4, INSIG1, INSIG2, INTS5, ITPR1, ITPR2, ITPR3, JAGN1, JKAMP, KBTBD11-OT1, KCNA1, KCNA10, KCNA2, KCNA3, KCNA4, KCNA5, KCNA6, KCNA7, KCNB1, KCNB2, KCNC1, KCNC2, KCNC3, KCNC4, KCND1, KCND2, KCND3, KCNF1, KCNG1, KCNG2, KCNG3, KCNG4, KCNH1, KCNH2, KCNH3, KCNH4, KCNH5, KCNH6, KCNH7, KCNH8, KCNJ1, KCNJ10, KCNJ11, KCNJ12, KCNJ13, KCNJ15, KCNJ16, KCNJ17, KCNJ18, KCNJ2, KCNJ3, KCNJ4, KCNJ5, KCNJ8, KCNK1, KCNK10, KCNK12, KCNK13, KCNK16, KCNK17, KCNK18, KCNK2, KCNK3, KCNK4, KCNK5, KCNK6, KCNK7, KCNK9, KCNMA1, KCNMB2, KCNMB3, KCNMB4, KCNN1, KCNN2, KCNN3, KCNN4, KCNQ1, KCNQ2, KCNQ3, KCNQ4, KCNQ5, KCNS1, KCNS2, KCNS3, KCNT1, KCNT2, KCNU1, KCNV1, KDELR1, KDELR2, KDELR3, KDSR, KHDC1, KIAA0319L, KIAA1549, KIDINS220, KISS1R, KMO, KNCN, KRT10-AS1, KRTCAP2, KRTCAP3, LAPTM4A, LAPTM4B, LAPTM5, LAT2, LBR, LCLAT1, LDAF1, LEMD2, LEMD3, LEPR, LEPROT, LEPROTL1, LGR4, LGR5, LGR6, LHCGR, LHFPL1, LHFPL2, LHFPL3, LHFPL4, LHFPL5, LHFPL6, LHFPL7, LIM2, LINC00477, LINC02912, LMBR1, LMBR1L, LMBRD1, LMBRD2, LMF1, LMF2, LMTK2, LNPK, LOC102723532, LOC112268384, LOC124905359, LPAR1, LPAR2, LPAR5, LPAR6, LPCAT3, LPCAT4, LPGAT1, LRRC66, LRRC8A, LRRC8B, LRRC8C, LRRC8D, LRRC8E, LST1, LTB4R, LTB4R2, LTC4S, LYSET, MACO1, MAGT1, MAL2, MALL, MARCHF1, MARCHF11, MARCHF2, MARCHF3, MARCHF4, MARCHF5, MARCHF6, MARCHF8, MARCHF9, MARVELD1, MARVELD2, MARVELD3, MAS1, MAS1L, MBOAT1, MBOAT2, MBOAT4, MBOAT7, MBTPS2, MC1R, MC2R, MC4R, MCHR1, MCOLN1, MCOLN2, MCOLN3, MCTP1, MCTP2, MCU, MCUB, MCUR1, MEST, MFN1, MFN2, MFSD1, MFSD10, MFSD11, MFSD12, MFSD13A, MFSD14A, MFSD14B, MFSD14CP, MFSD2A, MFSD2B, MFSD3, MFSD4A, MFSD4B, MFSD5, MFSD6, MFSD6L, MFSD8, MFSD9, MGST1, MGST2, MGST3, MIGA2, MIP, MLC1, MMAA, MMD, MMD2, MMGT1, MOG, MOGAT1, MOGAT2, MOGAT3, MOSMO, MOSPD1, MOSPD3, MPC1, MPC1L, MPC2, MPDU1, MPEG1, MPPE1, MPV17, MPV17L2, MRGPRD, MRGPRF, MRGPRX1, MRGPRX2, MRGPRX4, MROH7, MRS2, MS4A1, MS4A10, MS4A12, MS4A13, MS4A14, MS4A15, MS4A18, MS4A2, MS4A3, MS4A4A, MS4A4E, MS4A5, MS4A6A, MS4A6E, MS4A7, MS4A8, MSMO1, MT-CO1, MT-CO2, MT-CO3, MT-CYB, MT-ND1, MT-ND2, MT-ND3, MT-ND4, MT-ND4L, MT-ND5, MT-ND6, MTCH1, MTCH2, MTFP1, MTNR1A, MTNR1B, MUL1, MYADM, MYADML2, MYMK, NALCN, NALF1, NALF2, NAT1, NAT2, NDFIP1, NDFIP2, NDUFA11, NEMP1, NEMP2, NET1, NINJ1, NINJ2, NIPA1, NIPA2, NIPAL1, NIPAL2, NIPAL3, NIPAL4, NKAIN1, NKAIN2, NKAIN3, NKAIN4, NKG7, NKPD1, NMBR, NNT, NOC4L, NOX1, NOX3, NOX4, NOX5, NPBWR2, NPC1, NPC1L1, NPFFR1, NPFFR2, NPSR1, NPY1R, NPY4R, NPY4R2, NPY6R, NRM, NRSN1, NRSN2, NTSR1, NUS1, NYNRIN, OATP1, OCA2, OCLN, OCSTAMP, ODF4, ODR4, OPN1LW, OPN1MW, OPN1MW2, OPN1MW3, OPN1SW, OPN3, OPN4, OPN5, OPRD1, OPRK1, OPRL1, OPRM1, OR10A2, OR10A3, OR10A4, OR10A5, OR10A6, OR10A7, OR10AC1, OR10AD1, OR10AG1, OR10C1, OR10D3, OR10G3, OR10G4, OR10G6, OR10G7, OR10G8, OR10G9, OR10H1, OR10H2, OR10H3, OR10H4, OR10H5, OR10J1, OR10J3, OR10J5, OR10K1, OR10K2, OR10P1, OR10Q1, OR10R2, OR10S1, OR10T2, OR10V1, OR10W1, OR10X1, OR10Z1, OR11A1, OR11G2, OR11H1, OR11H12, OR11H2, OR11H4, OR11H6, OR12D1, OR12D2, OR12D3, OR13A1, OR13C2, OR13C3, OR13C4, OR13C5, OR13C7, OR13C8, OR13C9, OR13D1, OR13F1, OR13G1, OR13H1, OR13J1, OR14A16, OR14A2, OR14C36, OR14I1, OR14J1, OR14K1, OR14L1, OR1A1, OR1A2, OR1B1, OR1C1, OR1D2, OR1D4, OR1D5, OR1E1, OR1E2, OR1F1, OR1G1, OR1I1, OR1J1, OR1J2, OR1J4, OR1K1, OR1L1, OR1L3, OR1L4, OR1L6, OR1L8, OR1M1, OR1N1, OR1N2, OR1Q1, OR1R1P, OR1S1, OR1S2, OR2A1, OR2A14, OR2A2, OR2A25, OR2A4, OR2A42, OR2A5, OR2A7, OR2AE1, OR2AG1, OR2AG2, OR2AJ1, OR2AK2, OR2AP1, OR2AT4, OR2B11, OR2B2, OR2B3, OR2B6, 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, OR2T2, OR2T27, OR2T29, OR2T3, OR2T34, OR2T35, OR2T4, OR2T5, OR2T6, OR2T8, OR2V1, OR2V2, OR2W1, OR2W3, OR2Y1, OR2Z1, OR3A1, OR3A2, OR3A3, OR4A15, OR4A16, OR4A47, OR4A5, OR4B1, OR4C11, OR4C12, OR4C15, OR4C16, OR4C3, OR4C46, OR4C5, OR4C6, OR4D1, OR4D10, OR4D11, OR4D2, OR4D5, OR4D6, OR4D9, OR4E2, OR4F15, OR4F16, OR4F17, OR4F21, 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, OR51B2, OR51B4, OR51B5, OR51B6, OR51C1P, OR51D1, OR51E1, OR51E2, OR51F1, OR51F2, OR51G1, OR51G2, OR51H1, OR51I1, OR51I2, OR51J1, OR51L1, OR51M1, OR51Q1, OR51S1, OR51T1, OR51V1, OR52A1, OR52A5, OR52B2, OR52B4, OR52B6, OR52D1, OR52E1, OR52E2, OR52E4, OR52E5, OR52E6, OR52E8, OR52H1, OR52I1, OR52I2, OR52J3, OR52K1, OR52K2, OR52L1, OR52M1, OR52N1, OR52N2, OR52N4, OR52N5, OR52P1, OR52R1, OR52W1, OR52Z1P, OR56A1, OR56A3, OR56A4, OR56A5, OR56B1, OR56B2P, OR56B4, OR5A1, OR5A2, OR5AC2, OR5AK2, OR5AL1, OR5AN1, OR5AP2, OR5AR1, OR5AS1, OR5AU1, OR5B12, OR5B17, OR5B2, OR5B21, OR5B3, OR5BS1P, OR5C1, OR5D13, OR5D14, OR5D16, OR5D18, OR5D3P, OR5F1, OR5H1, OR5H14, OR5H2, OR5H6, OR5H8, OR5I1, OR5J2, OR5K1, OR5K2, OR5K3, OR5K4, OR5L1, OR5M1, OR5M10, OR5M11, 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, OR6N2, OR6P1, OR6Q1, OR6S1, OR6T1, OR6V1, OR6X1, OR6Y1, OR7A10, OR7A17, 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, OR8U8, OR8U9, OR9A2, OR9A4, OR9G1, OR9G4, OR9G9, OR9I1, OR9K2, OR9Q1, OR9Q2, ORAI1, ORAI2, ORAI3, ORC1, ORC2, ORMDL1, ORMDL2, ORMDL3, OSTC, OTOP1, OTOP2, OTOP3, OXA1L, OXER1, OXGR1, OXTR, P2RX1, P2RX2, P2RX3, P2RX4, P2RX5, P2RX6, P2RX7, P2RY1, P2RY12, P2RY13, P2RY14, P2RY2, P2RY4, P2RY6, PACC1, PAF1, PANX1, PANX2, PANX3, PAPPA-AS1, PAQR3, PAQR4, PAQR5, PAQR6, PAQR7, PAQR8, PAQR9, PARL, PCNX1, PCNX2, PCNX3, PCNX4, PDE3A, PDE3B, PDP1, PEDS1, PEDS1-UBE2V1, PEMT, PERP, PEX10, PEX11A, PEX11G, PEX12, PEX13, PEX16, PEX2, PEX3, PGAP1, PGAP2, PGAP3, PGAP4, PGAP6, PHTF1, PHTF2, PIEZO1, PIEZO2, PIGB, PIGC, PIGF, PIGG, PIGM, PIGN, PIGO, PIGP, PIGQ, PIGS, PIGU, PIGV, PIGW, PIGY, PIGZ, PIP4P1, PIP4P2, PIRT, PKD1, PKD1L1, PKD1L2, PKD1L3, PKD2, PKD2L1, PKD2L2, PKDREJ, PLGRKT, PLLP, PLP1, PLPP1, PLPP2, PLPP3, PLPP4, PLPP5, PLPP6, PLPPR1, PLPPR2, PLPPR3, PLPPR4, PLPPR5, PMIS2, PMP22, PNMT, PNPLA2, POMT1, POMT2, POP1, POPDC2, POPDC3, PORCN, PRAF2, PRF1, PRG1, PRG2, PRG3, PRG4, PRLHR, PROKR2, PROM1, PROM2, PRPH, PRPH2, PRRT1B, PRRT3, PRRT4, PSAP, PSEN1, PSEN2, PSENEN, PTAFR, PTCH1, PTCH2, PTCHD1, PTCHD3, PTCHD4, PTDSS1, PTDSS2, PTGDR, PTGDR2, PTGER1, PTGER2, PTGER3, PTGER4, PTGES, PTGFR, PTGIR, PTH1R, PTH2R, PTPN5, PVRIG, PXMP2, PXMP4, QRFPR, RAB5IF, RABAC1, RABGAP1, RCE1, RDH5, RDH8, REEP1, REEP2, REEP3, REEP4, REEP5, REEP6, RER1, RETREG1, RETREG2, RETREG3, RFC1, RFT1, RGR, RHAG, RHBDD1, RHBDD2, RHBDD3, RHBDF1, RHBDF2, RHBDL1, RHBDL2, RHBDL3, RHBG, RHCE, RHCG, RHD, RHO, RNASEK, RNF103, RNF112, RNF121, RNF139, RNF145, RNF170, RNF175, RNF182, RNF185, RNF186, RNF19A, RNF19B, RNF215, RNF228, RNF26, RNF5, RNFT1, RNFT2, ROM1, RPN2, RRH, RTL1, RTN1, RTN2, RTN3, RTN4, RXFP1, RYR1, RYR2, RYR3, S1PR1, SACM1L, SAMD8, SAT1, SAT2, SC5D, SCAMP1, SCAMP2, SCAMP3, SCAMP4, SCAMP5, SCAP, SCARB1, SCARB2, SCD, SCD5, SCN10A, SCN11A, SCN1A, SCN2A, SCN3A, SCN4A, SCN5A, SCN7A, SCN8A, SCN9A, SCNN1A, SCNN1B, SCNN1D, SCNN1G, SCTR, SDHC, SDHD, SDIM1, SDR16C5, SDR42E1, SEC22A, SEC22C, SEC61A1, SEC61A2, SEC62, SEC63, SELENOI, SERINC1, SERINC2, SERINC3, SERINC4, SERINC5, SFT2D1, SFT2D2, SFT2D3, SFXN1, SFXN2, SFXN3, SFXN4, SFXN5, SGMS1, SGMS2, SGPP1, SGPP2, SHISAL2A, SIDT1, SIDT2, SIT1, SLC10A1, SLC10A3, SLC10A4, SLC10A5, SLC10A6, SLC10A7, SLC11A1, SLC11A2, SLC12A1, SLC12A2, SLC12A3, SLC12A4, SLC12A5, SLC12A6, SLC12A7, SLC12A8, SLC12A9, SLC13A1, SLC13A2, SLC13A3, SLC13A4, SLC13A5, SLC14A1, SLC14A2, SLC15A1, SLC15A2, SLC15A3, SLC15A4, SLC15A5, SLC16A1, SLC16A10, SLC16A11, SLC16A12, SLC16A13, SLC16A14, SLC16A2, SLC16A3, SLC16A4, SLC16A5, SLC16A6, SLC16A7, SLC16A8, SLC16A9, SLC17A1, SLC17A2, SLC17A3, SLC17A4, SLC17A5, SLC17A6, SLC17A7, SLC17A8, SLC17A9, SLC18A1, SLC18A2, SLC18A3, SLC18B1, SLC19A1, SLC19A2, SLC19A3, SLC1A1, SLC1A2, SLC1A3, SLC1A4, SLC1A5, SLC1A6, SLC1A7, SLC20A1, SLC20A2, SLC22A1, SLC22A10, SLC22A11, SLC22A12, SLC22A13, SLC22A14, SLC22A15, SLC22A16, SLC22A17, SLC22A18, SLC22A2, SLC22A20P, SLC22A23, SLC22A24, SLC22A25, SLC22A3, SLC22A31, SLC22A4, SLC22A5, SLC22A6, SLC22A7, SLC22A8, SLC22A9, SLC23A1, SLC23A2, SLC23A3, SLC24A1, SLC24A2, SLC24A3, SLC24A4, SLC24A5, SLC25A1, SLC25A10, SLC25A11, SLC25A12, SLC25A13, SLC25A14, SLC25A15, SLC25A16, SLC25A17, SLC25A18, SLC25A19, SLC25A2, SLC25A20, SLC25A22, SLC25A23, SLC25A24, SLC25A25, SLC25A26, SLC25A27, SLC25A28, SLC25A29, SLC25A3, SLC25A30, SLC25A31, SLC25A32, SLC25A33, SLC25A34, SLC25A35, SLC25A36, SLC25A37, SLC25A38, SLC25A39, SLC25A4, SLC25A40, SLC25A41, SLC25A42, SLC25A43, SLC25A44, SLC25A45, SLC25A46, SLC25A47, SLC25A48, SLC25A5, SLC25A51, SLC25A52, SLC25A53, SLC25A6, SLC26A1, SLC26A10P, SLC26A11, SLC26A2, SLC26A3, SLC26A4, SLC26A5, SLC26A6, SLC26A7, SLC26A8, SLC26A9, SLC27A2, 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, SLC30A6, SLC30A7, SLC30A8, SLC30A9, SLC31A1, SLC31A2, SLC32A1, SLC33A1, SLC34A1, SLC34A2, SLC34A3, SLC35A1, SLC35A2, SLC35A3, SLC35A4, SLC35A5, SLC35B1, SLC35B2, SLC35B3, SLC35B4, SLC35C1, SLC35C2, SLC35D1, SLC35D2, SLC35D3, SLC35E1, SLC35E2A, SLC35E2B, SLC35E3, SLC35E4, SLC35F1, SLC35F2, SLC35F3, SLC35F4, SLC35F5, SLC35G1, SLC35G2, SLC35G3, SLC35G4, SLC35G5, SLC35G6, SLC36A1, SLC36A2, SLC36A3, SLC36A4, SLC37A1, SLC37A2, SLC37A3, SLC37A4, SLC38A1, SLC38A10, SLC38A11, SLC38A2, SLC38A3, SLC38A4, SLC38A5, SLC38A6, SLC38A7, SLC38A8, SLC38A9, SLC39A1, SLC39A10, SLC39A11, SLC39A12, SLC39A13, SLC39A14, SLC39A2, SLC39A3, SLC39A4, SLC39A5, SLC39A6, SLC39A7, SLC39A8, SLC39A9, SLC40A1, SLC41A1, SLC41A2, SLC41A3, SLC43A1, SLC43A2, SLC43A3, SLC44A1, SLC44A2, SLC44A3, SLC44A4, SLC44A5, SLC45A1, SLC45A2, SLC45A3, SLC45A4, SLC46A1, SLC46A2, SLC46A3, SLC47A1, SLC47A2, SLC48A1, SLC49A3, SLC49A4, SLC4A1, SLC4A10, SLC4A11, SLC4A2, SLC4A3, SLC4A4, SLC4A5, SLC4A7, SLC4A8, SLC4A9, SLC50A1, SLC51A, SLC52A1, SLC52A2, SLC52A3, SLC5A1, SLC5A10, SLC5A11, SLC5A12, SLC5A2, SLC5A3, SLC5A4, SLC5A5, SLC5A6, SLC5A7, SLC5A8, SLC5A9, SLC66A1, SLC66A2, SLC66A3, SLC6A1, SLC6A11, SLC6A12, SLC6A13, SLC6A14, SLC6A15, SLC6A16, SLC6A17, SLC6A18, SLC6A19, SLC6A2, SLC6A20, SLC6A3, SLC6A4, SLC6A5, SLC6A6, SLC6A7, SLC6A8, SLC6A9, SLC7A1, SLC7A10, SLC7A11, SLC7A13, SLC7A14, SLC7A2, SLC7A4, SLC7A5, SLC7A5P1, SLC7A5P2, SLC7A6, SLC7A7, SLC7A8, SLC7A9, SLC8A1, SLC8A2, SLC8A3, SLC8B1, SLC9A1, SLC9A2, SLC9A3, SLC9A4, SLC9A5, SLC9A6, SLC9A7, SLC9A8, SLC9A9, SLC9B1, SLC9B1P1, SLC9B2, SLC9C1, SLCO1A2, SLCO1B1, SLCO1B3, SLCO1B3-SLCO1B7, SLCO1B7, SLCO1C1, SLCO2A1, SLCO2B1, SLCO3A1, SLCO4A1, SLCO4C1, SLCO5A1, SLCO6A1, SMLR1, SMO, SMPD2, SNX14, SOAT1, SOAT2, SPAG4, SPC25, SPCS1, SPCS2, SPG7, SPIN1, SPNS1, SPNS2, SPNS3, SPP1, SPPL2A, SPPL2B, SPPL2C, SPPL3, SPTSSA, SPTSSB, SRD5A1, SRD5A2, SRD5A3, SREBF1, SREBF2, SSPN, SSR3, SSTR3, SSTR5, ST7, ST7L, STARD3, STARD3NL, STEAP1, STEAP1B, STEAP2, STEAP3, STEAP4, STIMATE, STING1, STRA6, STT3A, STT3B, STUM, STX17, SUCNR1, SURF1, SURF4, SV2A, SV2B, SV2C, SVOP, SVOPL, SYNDIG1L, SYNGR1, SYNGR2, SYNGR3, SYNGR4, SYNPR, SYP, SYPL1, SYPL2, SYS1, SYS1-DBNDD2, SYVN1, TAAR1, TAAR2, TAAR3P, TAAR5, TAAR6, TAAR8, TAAR9, TACR1, TACR2, TACR3, TAOK2, TAP1, TAP2, TAPT1, TAS1R1, TAS2R1, TAS2R13, TAS2R16, TAS2R19, TAS2R20, TAS2R2P, TAS2R30, TAS2R31, TAS2R33, TAS2R36, TAS2R38, TAS2R4, TAS2R42, TAS2R43, TAS2R45, TAS2R46, TAS2R5, TAS2R8, TBC1D20, TBXA2R, TBXAS1, TCIRG1, TCTA, TECR, TECRL, TEDDM1, TEX2, TEX261, TIMM17A, TIMM17B, TIMM22, TIMM23, TIMM23B, TIMMDC1, TLCD1, TLCD2, TLCD3B, TLCD4, TLCD4-RWDD3, TLCD5, TM2D1, TM2D2, TM2D3, TM4SF1, TM4SF18, TM4SF19, TM4SF20, TM4SF4, TM4SF5, TM6SF1, TM6SF2, TM7SF2, TM7SF3, TM9SF1, TM9SF2, TM9SF3, TM9SF4, TMBIM1, TMBIM4, TMBIM6, TMC1, TMC2, TMC3, TMC4, TMC5, TMC6, TMC7, TMC8, TMCC1, TMCC2, TMCC3, TMCO1, TMCO3, TMCO4, TMCO6, TMEM100, TMEM101, TMEM104, TMEM105, TMEM107, TMEM108, TMEM109, TMEM11, TMEM114, TMEM115, TMEM116, TMEM117, TMEM120A, TMEM120B, TMEM121, TMEM125, TMEM126A, TMEM126B, TMEM127, TMEM128, TMEM129, TMEM134, TMEM135, TMEM138, TMEM140, TMEM141, TMEM143, TMEM144, TMEM145, TMEM147, TMEM14A, TMEM14B, TMEM14C, TMEM14DP, TMEM14EP, TMEM150A, TMEM150B, TMEM150C, TMEM151A, TMEM151B, TMEM156, TMEM158, TMEM160, TMEM161A, TMEM161B, TMEM163, TMEM164, TMEM165, TMEM168, TMEM169, TMEM17, TMEM170A, TMEM170B, TMEM171, TMEM174, TMEM175, TMEM176A, TMEM176B, TMEM177, TMEM178A, TMEM178B, TMEM179, TMEM179B, TMEM18, TMEM181, TMEM182, TMEM184A, TMEM184B, TMEM184C, TMEM185A, TMEM185B, TMEM186, TMEM187, TMEM19, TMEM192, TMEM196, TMEM198, TMEM199, TMEM200A, TMEM200B, TMEM200C, TMEM201, TMEM202, TMEM203, TMEM204, TMEM205, TMEM208, TMEM209, TMEM212, TMEM214, TMEM215, TMEM216, TMEM217, TMEM217B, TMEM218, TMEM220, TMEM221, TMEM222, TMEM223, TMEM225, TMEM225B, TMEM229A, TMEM229B, TMEM230, TMEM231, TMEM232, TMEM234, TMEM235, TMEM236, TMEM237, TMEM238, TMEM238L, TMEM239, TMEM240, TMEM241, TMEM242, TMEM243, TMEM244, TMEM245, TMEM247, TMEM248, TMEM249, TMEM250, TMEM252, TMEM253, TMEM254, TMEM255A, TMEM255B, TMEM256, TMEM256-PLSCR3, TMEM258, TMEM259, TMEM26, TMEM260, TMEM262, TMEM263, TMEM265, TMEM266, TMEM267, TMEM268, TMEM269, TMEM270, TMEM271, TMEM272, TMEM275, TMEM276, TMEM30A, TMEM30B, TMEM31, TMEM33, TMEM35A, TMEM35B, TMEM37, TMEM38A, TMEM38B, TMEM39A, TMEM39B, TMEM41A, TMEM41B, TMEM42, TMEM43, TMEM44, TMEM45A, TMEM45B, TMEM47, TMEM50A, TMEM50B, TMEM51, TMEM54, TMEM60, TMEM61, TMEM62, TMEM63A, TMEM63B, TMEM63C, TMEM64, TMEM65, TMEM67, TMEM68, TMEM69, TMEM70, TMEM71, TMEM72, TMEM74, TMEM74B, TMEM78, TMEM79, TMEM80, TMEM82, TMEM86A, TMEM86B, TMEM87A, TMEM87B, TMEM88, TMEM88B, TMEM8B, TMEM91, TMEM94, TMEM97, TMIGD3, TMPPE, TMTC1, TMTC2, TMTC3, TMTC4, TMUB1, TMUB2, TOMM40, TOMM40L, TP53I11, TPCN1, TPCN2, TPRA1, TPTE, TPTE2, TRAM1, TRAM1L1, TRAM2, TRHR, TRPA1, TRPC1, TRPC3, TRPC4, TRPC5, TRPC6, TRPC7, TRPM1, TRPM2, TRPM3, TRPM4, TRPM5, TRPM6, TRPM7, TRPM8, TRPV1, TRPV2, TRPV3, TRPV4, TRPV5, TRPV6, TSBP1, TSHR, TSPAN1, TSPAN10, TSPAN11, TSPAN12, TSPAN13, TSPAN14, TSPAN15, TSPAN16, TSPAN17, TSPAN18, TSPAN19, TSPAN2, TSPAN3, TSPAN31, TSPAN32, TSPAN33, TSPAN4, TSPAN5, TSPAN6, TSPAN7, TSPAN9, TSPO, TSPO2, TTYH1, TTYH2, TTYH3, TUSC3, TVP23A, TVP23B, TVP23C, TVP23C-CDRT4, UBAC2, UBIAD1, UBR3, UBXN8, UCP1, UCP2, UCP3, UGCG, UGT2A2, UNC50, UNC79, UNC80, UNC93A, UNC93B1, UPK1B, VANGL1, VANGL2, VAT1, VDAC1, VEZT, VIPR2, VKORC1, VKORC1L1, VMA21, VMP1, VN1R17P, WDR83OS, WFS1, WLS, XK, XKR3, XKR4, XKR5, XKR6, XKR7, XKR8, XKR9, XKRX, XKRY, XPR1, YIF1A, YIF1B, YIPF1, YIPF2, YIPF3, YIPF4, YIPF5, YIPF6, YIPF7, ZACN, ZDHHC1, ZDHHC11, ZDHHC11B, ZDHHC12, ZDHHC13, ZDHHC14, ZDHHC15, ZDHHC16, ZDHHC17, ZDHHC18, ZDHHC19, ZDHHC2, ZDHHC20, ZDHHC21, ZDHHC22, ZDHHC23, ZDHHC24, ZDHHC3, ZDHHC4, ZDHHC5, ZDHHC6, ZDHHC7, ZDHHC8, ZDHHC9, ZFYVE27, ZMPSTE24

Linderalactone

NCGC00385309-01_C15H16O3_(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one

C15H16O3 (244.1099)


Isolinderalactone is a member of benzofurans. It has a role as a metabolite. Isolinderalactone is a natural product found in Neolitsea villosa, Neolitsea hiiranensis, and other organisms with data available. A natural product found in Neolitsea daibuensis. Linderalactone is a natural product found in Neolitsea umbrosa, Neolitsea villosa, and other organisms with data available. Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Linderalactone is an important sesquiterpene lactone isolated from Lindera aggregata. Linderalactone inhibits cancer growth by modulating the expression of apoptosis-related proteins and inhibition of JAK/STAT signalling pathway. Linderalactone also inhibits the proliferation of the lung cancer A-549 cells with an IC50 of 15 μM[1][2]. Linderalactone is an important sesquiterpene lactone isolated from Lindera aggregata. Linderalactone inhibits cancer growth by modulating the expression of apoptosis-related proteins and inhibition of JAK/STAT signalling pathway. Linderalactone also inhibits the proliferation of the lung cancer A-549 cells with an IC50 of 15 μM[1][2].

   

Apiin

7-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1479)


Apiin is a beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4-dihydroxyflavon-7-yl moiety at the anomeric position. It has a role as an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and a plant metabolite. It is a beta-D-glucoside, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to an apigenin. It is a conjugate acid of an apiin(1-). Apiin is a natural product found in Crotalaria micans, Limonium axillare, and other organisms with data available. See also: Chamomile (part of); Chamaemelum nobile flower (part of). Apiin is found in celery leaves. Apiin is a constituent of parsley (Petroselinum crispum) and of the flowers of Anthemis nobilis (Roman chamomile). First isolated in 1843 Apiin is a chemical compound isolated from parsley and celery Constituent of parsley (Petroselinum crispum) and of the flowers of Anthemis nobilis (Roman chamomile). First isol. in 1843 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2350 Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1]. Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1].

   

Eldelin

[(1R,2S,3S,4S,5R,6S,8R,12S,16R,19S,20R,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate

C27H41NO8 (507.2832)


Deltaline is a diterpene alkaloid, a tertiary alcohol, a tertiary amino compound, an acetate ester, a cyclic acetal and an organic polycyclic compound. It derives from a hydride of an aconitane. Deltaline is a natural product found in Delphinium cheilanthum, Delphinium andersonii, and other organisms with data available. Deltaline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6836-11-9 (retrieved 2024-07-09) (CAS RN: 6836-11-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Deltaline is a diterpenoid alkaloid and isolated from plants of the genus Delphinium delavayi Franch. Deltaline itself has analgesic properties, and plants of the genus Delphinium delavayi Franch have also been therapeutically used to treat rheumaticpain, paralysis due to stroke, rheumatoid arthritis[1]. Deltaline is a diterpenoid alkaloid and isolated from plants of the genus Delphinium delavayi Franch. Deltaline itself has analgesic properties, and plants of the genus Delphinium delavayi Franch have also been therapeutically used to treat rheumaticpain, paralysis due to stroke, rheumatoid arthritis[1].

   

Gomisin G

[(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate

C30H32O9 (536.2046)


Gomisin G is a natural product found in Kadsura heteroclita, Schisandra henryi, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively.

   

1,2,3,6-Tetragalloyl-beta-D-glucopyranose

[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072)


1,2,3,6-tetrakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose. 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose is a natural product found in Castanea crenata, Quercus aliena, and other organisms with data available. See also: Paeonia lactiflora root (part of). 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is found in beverages. 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is isolated from Ceratonia siliqua (carob). Isolated from Ceratonia siliqua (carob). 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is found in beverages and fruits. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1]. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1].

   

2'-Hydroxydaidzein

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

C15H10O5 (270.0528)


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

   

Alphitolsaure

(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

C30H48O4 (472.3552)


2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid is a pentacyclic triterpenoid that is betulinic acid carrying an additional alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a dihydroxy monocarboxylic acid. It is functionally related to a betulinic acid. It derives from a hydride of a lupane. Alphitolic acid is a natural product found in Quercus aliena, Alphitonia petriei, and other organisms with data available. A pentacyclic triterpenoid that is betulinic acid carrying an additional alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa.

   

Paeoniflorigenone

[(2S,3aR,5R,7aS,8S)-3a-hydroxy-7a-methyl-6-oxohexahydro-2H-2,5-methano-1,3-benzodioxol-8-yl]methyl benzoate

C17H18O6 (318.1103)


A natural product found in Paeonia rockii subspeciesrockii. Paeoniflorigenone is a terpenoid with formula C17H18O6, isolated from several species of Paeoniae. It has a role as a neuromuscular agent and a plant metabolite. It is a benzoate ester, a monoterpenoid, a cyclic acetal, an alicyclic ketone, a bridged compound and a lactol. [(1S,3S,6R,8R,10S)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate is a natural product found in Paeonia lactiflora, Paeonia clusii, and other organisms with data available. A terpenoid with formula C17H18O6, isolated from several species of Paeoniae.

   

CleomiscosinA

9H-pyrano[2,3-f]-1,4-benzodioxin-9-one, 2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-, (2R,3R)-

C20H18O8 (386.1002)


Cleomiscosin A is an organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent. It is a delta-lactone, an aromatic ether, an organic heterotricyclic compound, a member of phenols and a primary alcohol. Cleomiscosin A is a natural product found in Hibiscus syriacus, Artemisia minor, and other organisms with data available. An organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity. Cleomiscosin A is a coumarino-lignoid from branch of Macaranga adenantha. Cleomiscosin A is active against TNF-alpha secretion of the mouse peritoneal macrophages[1][2]. Cleomiscosin A is a coumarino-lignoid from branch of Macaranga adenantha. Cleomiscosin A is active against TNF-alpha secretion of the mouse peritoneal macrophages[1][2].

   

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).

   

Lauric aldehyde

InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H

C12H24O (184.1827)


Dodecanal is a long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It has a role as a plant metabolite. It is a 2,3-saturated fatty aldehyde, a medium-chain fatty aldehyde and a long-chain fatty aldehyde. It derives from a hydride of a dodecane. Dodecanal is a natural product found in Mikania cordifolia, Zingiber mioga, and other organisms with data available. Occurs in peel oil from Citrus subspecies and kumquatand is also present in ginger, coriander, chervil and scallop. Flavouring agent. Lauric aldehyde is found in many foods, some of which are mollusks, rocket salad (sspecies), sweet orange, and fruits. Lauric aldehyde is found in citrus. Lauric aldehyde occurs in peel oil from Citrus species and kumquat. Also present in ginger, coriander, chervil and scallop. Lauric aldehyde is a flavouring agent. A long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group.

   

Desaminotyrosine

3-(4-hydroxyphenyl)propanoic acid

C9H10O3 (166.063)


Desaminotyrosine, also known as 4-hydroxyphenylpropionic acid, is a normal constituent of human urine. It is a product of tyrosine metabolism; its concentration in urine increases in patients with gastrointestinal diseases. Desaminotyrosine is a major phenolic acid breakdown product of proanthocyanidin metabolism (PMID:15315398). Urinary desaminotyrosine is produced by Clostridium sporogenes and C. botulinum (PMID:29168502). Desaminotyrosine is also found in Acinetobacter, Bacteroides, Bifidobacteria, Bifidobacterium, Clostridium, Enterococcus, Escherichia, Eubacterium, Klebsiella, Lactobacillus, Pseudomonas, and Staphylococcus (PMID:29168502, 28393285, 19961416). Desaminotyrosine is a phenolic acid metabolite formed by the gut microflora detected after the consumption of whole grain. A normal constituent of human urine. A product of tyrosine metabolism; concentration in urine increases in patients with gastrointestinal diseases. (Dictionary of Organic Compounds) May also result from phenolic acid metabolism by colonic bacteria. (PMID 15315398) [HMDB]. Phloretic acid is found in many foods, some of which are arrowroot, olive, avocado, and peanut. Desaminotyrosine is a microbially associated metabolite protecting from influenza through augmentation of type I interferon signaling. Desaminotyrosine is a microbially associated metabolite protecting from influenza through augmentation of type I interferon signaling.

   

4-Nitrocatechol

4-nitro-Pyrocatechol4-nitropyrocatechol NSC 80651

C6H5NO4 (155.0219)


4-Nitrocatechol is the by-product of the hydroxylation of 4-Nitrophenol by the human cytochrome P450 (CYP) 2E1. This reaction is a useful metabolic marker for the presence of functional cytochrome P450 2E1 in mammalian cell microsomes. Hepatic and extrahepatic microsomal cytochrome P450 isozymes further catalyze the reduction of p-nitrocatechol to p-aminophenol. (PMID: 8267647, 8214571, 8267647) [HMDB] 4-Nitrocatechol is the by-product of the hydroxylation of 4-nitrophenol by the human cytochrome P450 (CYP) 2E1. This reaction is a useful metabolic marker for the presence of functional cytochrome P450 2E1 in mammalian cell microsomes. Hepatic and extrahepatic microsomal cytochrome P450 isozymes further catalyze the reduction of p-nitrocatechol into p-aminophenol (PMID: 8267647, 8214571, 8267647). 4-Nitrocatechol is a potent lipoxygenase inhibitor[1]. 4-Nitrocatechol is a potent lipoxygenase inhibitor[1].

   

N-Acetylhistamine

N-(2-(1H-Imidazol-4-yl)ethyl)acetamide (acd/name 4.0)

C7H11N3O (153.0902)


N-Acetylhistamine is a 4-(beta-Acetylaminoethyl)imidazole that is an intermediate in Histidine metabolism. It is generated from Histamine via the enzyme Transferases (EC 2.3.1.-). Histamine is an amine derived by enzymatic decarboxylation of histidine. It is a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and also a centrally acting neurotransmitter. Isolated from leaves of Spinacia oleracea (spinach). N-Acetylhistamine is found in green vegetables and spinach. KEIO_ID A093 N-Acetylhistamine is a histamine metabolite. N-acetylhistamine can be used as a potential biomarker of histidine metabolism for anaphylactoid reactions. N-Acetylhistamine is a histamine metabolite. N-acetylhistamine can be used as a potential biomarker of histidine metabolism for anaphylactoid reactions.

   

Mesaconic acid

trans-1-Propene-1,2-dicarboxylic acid

C5H6O4 (130.0266)


Mesaconic acid, also known as 2-methylfumarate or citronic acid, belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Mesaconic acid is a dicarboxylic butenoic acid, with a methyl group in position 2 and the double bound between carbons 2 and 3. Mesaconic acid was first studied for its physical properties in 1874 by Jacobus van ‘t Hoff (https://web.archive.org/web/20051117102410/http://dbhs.wvusd.k12.ca.us/webdocs/Chem-History/Van\\%27t-Hoff-1874.html). It is now known to be involved in the biosynthesis of vitamin B12 and it is also a competitor inhibitor of the reduction of fumarate. Mesaconic acid is one of several isomeric carboxylic acids obtained from citric acid. Is used as a fire retardant, recent studies revealed this acid is a competitive inhibitor of fumarate reduction. [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. D003879 - Dermatologic Agents

   

DL-Homocystine

2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid

C8H16N2O4S2 (268.0551)


Homocystine is the oxidized form of homocysteine. Homocystine is a dipeptide consisting of two homocysteine molecules joined by a disulfide bond. Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Homocystine occurs only transiently before being reduced to homocysteine and converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Homocystine and homocysteine-cysteine mixed disulfides account for >98\\\\\% of total homocysteine in plasma from healthy individuals (PMID 11592966). Homocystine has been shown to stereospecifically induce endothelial nitric oxide synthase-dependent lipid peroxidation in endothelial cells, thereby inducing a vascular cell type-specific oxidative stress. This vascular stress is associated with atherothrombotic cardiovascular disease (PMID: 14980706). High levels of homocysteine (and homocysteine) can be found in individuals suffering from homocystinura due to cystathionine synthase deficiency (PMID: 4685596) Homocystine is the double-bonded form of homocysteine, but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H041 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. DL-Homocystine is the double-bonded form of homocysteine and homocysteine is recognized as an important substance in the pathogenesis and pathophysiology of schizophrenia. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.

   

Imazamox

5-(Methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid

C15H19N3O4 (305.1375)


2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid is a pyridinemonocarboxylic acid that is nicotinic acid which is substituted substituted at position 5 by a methoxymethyl group and at position 2 by a 4,5-dihydro-1H-imidazol-2-yl group, that in turn is substituted by isopropyl, methyl, and oxo groups at positions 4, 4, and 5, respectively. It is a pyridinemonocarboxylic acid, an ether, an imidazolone and a member of imidazolines. Imazamox is a member of the imidazolinone class of herbicides. It is registered for post-emergence control of broadleaf weeds and grass in alfalfa, edible legumes and soybeans. It is a systemic herbicide that moves throughout the plant tissue and prevents plants from producing an essential enzyme, acetolactate synthase (ALS), which is not found in animals. This enzyme is key for the biosynthesis of branched chain amino acids. Susceptible plants will stop growing soon after treatment, but plant death and decomposition will occur over several weeks.

   

N4-Acetylsulfamethoxazole

N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}ethanimidic acid

C12H13N3O4S (295.0627)


N4-Acetylsulfamethoxazole is a metabolite of the sulfonamide bacteriostatic antibiotic sulfamethoxazole. Sulfamethoxazole is metabolized via acetylation catalyzed by liver extramitochondrial N-acetyl transferases. Acetylsulfamethoxazole is excreted in urine. Acetylsulfamethoxazole and sulfamethoxazole can be used as a probe for the molecular percentage enrichment of liver extramitochondrial acetyl-CoA. N4-Acetylsulfamethoxazole can be used as a reference for measuring sulfamethoxazole impurities and waste determination (PMID: 15307787). It is one of the critical aspects of urine and stone analysis (PMID: 3811034) and its quantitative determination in body fluids could be performed by reversed-phase high-performance liquid chromatography, a rapid, precise and simple procedure (PMID: 6668314). It is also reported the renal excretion rate of the metabolite N4-acetylsulfamethoxazole is not dependent on the urinary pH (PMID: 670346). N4-Acetylsulfamethoxazole is only found in individuals who have consumed the drug sulfamethoxazole. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 299

   

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

   

2'-Deoxyuridine 5'-monophosphate disodium salt

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

C9H13N2O8P (308.041)


Deoxyuridine monophosphate (dUMP), also known as deoxyuridylic acid or deoxyuridylate in its conjugate acid and conjugate base forms, respectively, is a deoxynucleotide. It belongs to the class of organic compounds known as pyrimidine 2-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. dUMP exists in all living species, ranging from bacteria to humans. Within humans, dUMP participates in a number of enzymatic reactions. In particular, dUMP can be biosynthesized from dCMP through its interaction with the enzyme deoxycytidylate deaminase. In addition, dUMP can be biosynthesized from deoxyuridine; which is mediated by the enzyme thymidine kinase, cytosolic. In humans, dUMP is involved in pyrimidine metabolism. A pyrimidine 2-deoxyribonucleoside 5-monophosphate having uracil as the nucleobase. Outside of the human body, dUMP has been detected, but not quantified in several different foods, such as breadnut tree seeds, sea-buckthornberries, sour cherries, black walnuts, and common oregano. dUMP is formed by the reduction of ribonucleotides to deoxyribonucleotides by ribonucleoside diphosphate reductase [EC 1.17.4.1]. dUMP by the action of by thymidylate synthetase [EC 2.1.1.45] produces dTMP (5,10-Methylene-5,6,7,8-tetrahydrofolate is a cofactor for the reaction). The nuclear form of uracil-DNA glycosylase (UNG2), that its major role is to remove misincorporated dUMP residues (cells deficient in removal of misincorporated dUMP accumulate uracil residues). (PMID 11554311) [HMDB]. dUMP is found in many foods, some of which are ginger, evergreen huckleberry, vanilla, and common walnut. dUMP. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=964-26-1 (retrieved 2024-07-15) (CAS RN: 964-26-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

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

   

Cycloate

N-cyclohexyl-N-ethyl(ethylsulfanyl)formamide

C11H21NOS (215.1344)


   

Fenoprop

2-(2,4,5-trichlorophenoxy)propanoic acid

C9H7Cl3O3 (267.9461)


   

Tetraethyl pyrophosphate

Diethyl [(diethoxyphosphoryl)oxy]phosphonic acid

C8H20O7P2 (290.0684)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

   

L-Hypoglycin A

alpha-amino-beta-(2-Methylenecyclopropyl)propionic acid

C7H11NO2 (141.079)


Isolated from the unripe fruit of akee apple (Blighia sapida). L-Hypoglycin A is found in many foods, some of which are fox grape, biscuit, mamey sapote, and chinese chives. L-Hypoglycin A is found in fruits. L-Hypoglycin A is isolated from the unripe fruit of akee apple (Blighia sapida D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins

   

METHAQUALONE

METHAQUALONE

C16H14N2O (250.1106)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

Ordram

MOLINATE

C9H17NOS (187.1031)


D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D009676 - Noxae > D000988 - Antispermatogenic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3714 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

Nirvanol

2,4-Imidazolidinedione,5-ethyl-5-phenyl-

C11H12N2O2 (204.0899)


Nirvanol is a metabolite of Mephenytoin. Nirvanol, also known as ethylphenylhydantoin, is a derivative of hydantoin with anticonvulsant properties. Its 5-ethyl-5-phenyl substitution pattern is similar to that of phenobarbital. It is useful in the treatment of chorea. (Wikipedia) D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol

4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine

C8H15N5O (197.1277)


4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol, also known as 2-Hydroxyatrazine, is classified as a member of the 1,3,5-triazines. 1,3,5-triazines are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5. 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol is considered to be practically insoluble (in water) and relatively neutral CONFIDENCE standard compound; EAWAG_UCHEM_ID 279 CONFIDENCE standard compound; INTERNAL_ID 8441 CONFIDENCE standard compound; INTERNAL_ID 2550 KEIO_ID A196

   

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

   

Hexythiazox

Pesticide5_Hexythiazox_C17H21ClN2O2S_(4S,5S)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

C17H21ClN2O2S (352.1012)


   

1,5-Naphthalenediamine

naphthalene-1,5-diamine

C10H10N2 (158.0844)


CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1321; ORIGINAL_PRECURSOR_SCAN_NO 1317 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1306; ORIGINAL_PRECURSOR_SCAN_NO 1305 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1313; ORIGINAL_PRECURSOR_SCAN_NO 1311 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1314; ORIGINAL_PRECURSOR_SCAN_NO 1311 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1302; ORIGINAL_PRECURSOR_SCAN_NO 1298

   

Prazepam

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

C19H17ClN2O (324.1029)


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

   

1,3,7-trimethylurate

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

C8H10N4O3 (210.0753)


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

   

Robinetin

4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI)

C15H10O7 (302.0427)


Robinetin is a pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4 and 5. It has a role as a plant metabolite. It is a pentahydroxyflavone and a 7-hydroxyflavonol. Robinetin is a natural product found in Acacia mearnsii, Intsia bijuga, and other organisms with data available. A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4 and 5. Robinetin (3,3',4',5',7-Pentahydroxyflavone), a naturally occurring flavonoid with remarkable ‘two color’ intrinsic fluorescence properties, has antifungal, antiviral, antibacterial, antimutagenesis, and antioxidant activity. Robinetin also can inhibit lipid peroxidation and protein glycosylation[1][2][3][4][5]. Robinetin (3,3',4',5',7-Pentahydroxyflavone), a naturally occurring flavonoid with remarkable ‘two color’ intrinsic fluorescence properties, has antifungal, antiviral, antibacterial, antimutagenesis, and antioxidant activity. Robinetin also can inhibit lipid peroxidation and protein glycosylation[1][2][3][4][5].

   

Colchicoside

N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide

C27H33NO11 (547.2054)


   

N-Acetylanthranilate

2-(Acetylamino)-benzoic acid

C9H9NO3 (179.0582)


   

3-Acetylmorphine

O(3)-Monoacetylmorphine

C19H21NO4 (327.1471)


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

   

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

   

Mephentermine

methyl(2-methyl-1-phenylpropan-2-yl)amine

C11H17N (163.1361)


A sympathomimetic agent with mainly indirect effects on adrenergic receptors. It is used to maintain blood pressure in hypotensive states, for example, following spinal anesthesia. Although the central stimulant effects of mephentermine are much less than those of amphetamine, its use may lead to amphetamine-type dependence. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1248) C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

   

Rubiadin

1,3-dihydroxy-2-methyl-9,10-dihydroanthracene-9,10-dione

C15H10O4 (254.0579)


Rubiadin is a dihydroxy anthraquinone isolated from Rubia cordifolia. Rubiadin has a potent antixidant activity[1]. Rubiadin is a dihydroxy anthraquinone isolated from Rubia cordifolia. Rubiadin has a potent antixidant activity[1].

   

GS 14259

TERBUMETON

C10H19N5O (225.159)


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

   

2,4-Dimethylphenol

2,4-Dimethylphenol titanium (+4)

C8H10O (122.0732)


   

Atraton

N-[4-(ethylimino)-6-methoxy-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine

C9H17N5O (211.1433)


CONFIDENCE standard compound; INTERNAL_ID 464; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7127; ORIGINAL_PRECURSOR_SCAN_NO 7122 CONFIDENCE standard compound; INTERNAL_ID 464; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7097; ORIGINAL_PRECURSOR_SCAN_NO 7095 CONFIDENCE standard compound; INTERNAL_ID 464; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7050; ORIGINAL_PRECURSOR_SCAN_NO 7048 CONFIDENCE standard compound; INTERNAL_ID 464; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7095; ORIGINAL_PRECURSOR_SCAN_NO 7094 CONFIDENCE standard compound; INTERNAL_ID 464; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7139; ORIGINAL_PRECURSOR_SCAN_NO 7135 CONFIDENCE standard compound; INTERNAL_ID 464; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7122; ORIGINAL_PRECURSOR_SCAN_NO 7120

   

benz(a)acridine

Benzo[a]acridine

C17H11N (229.0891)


CONFIDENCE standard compound; INTERNAL_ID 8030 CONFIDENCE standard compound; INTERNAL_ID 10

   

Dibenz[a,j]acridine

Dibenzo[a,j]acridine

C21H13N (279.1048)


D009676 - Noxae > D002273 - Carcinogens CONFIDENCE standard compound; INTERNAL_ID 8309 CONFIDENCE standard compound; INTERNAL_ID 8180

   

Estriol-16-Glucuronide

(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H32O9 (464.2046)


Estriol-16-glucuronide is a glucuronide derivative of the steroid estriol where the glucuronic acid is attached to the 16-hydroxyl group of Estriol. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Estriol (also known as oestriol) is one of the three main estrogens produced by the human body. It is only produced in significant amounts during pregnancy as it is made by the placenta. [HMDB] Estriol-16-glucuronide is a glucuronide derivative of the steroid estriol where the glucuronic acid is attached to the 16-hydroxyl group of Estriol. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Estriol (also known as oestriol) is one of the three main estrogens produced by the human body. It is only produced in significant amounts during pregnancy as it is made by the placenta. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

3-Methyloxindole

3-methyl-2,3-dihydro-1H-indol-2-one

C9H9NO (147.0684)


   

Gamma-glutamylglutamine

(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid

C10H17N3O6 (275.1117)


N2-gamma-Glutamylglutamine, also known as gamma-L-Glu-L-Gln or L-gamma-glutamyl-L-glutamine, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N2-gamma-Glutamylglutamine is a very strong basic compound (based on its pKa). N2-gamma-Glutamylglutamine is a dipeptide obtained from the condensation of the gamma-carboxy group of glutamic acid with the alpha-amino group of glutamine. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylglutamine has been identified in plasma and cerebrospinal fluid from hyperammonaemic patients. [HMDB] H-γ-Glu-Gln-OH is a hydrophilic peptide and can be conjugated to drugs. The carrier composed of H-γ-Glu-Gln-OH has the characteristics of high water solubility and drug-loading capacity, good biocompatibility, low toxicity, improved tumor targeting ability, and anti-tumor efficacy[1].

   

2-(Methylamino)benzoic acid

N-Methylanthranilic acid, 8ci

C8H9NO2 (151.0633)


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

   

Norvaline

alpha -DL-Aminopentanoic acid

C5H11NO2 (117.079)


Norvaline is a non-proteinogenic branched-chain amino acid with the chemical formula C5H11NO2, isomeric with valine. It has previously been reported to be a natural component of an antifungal peptide of Bacillus subtilis. Norvaline and other modified branched chain amino acids have received attention in recent studies, as they appear to be incorporated in some recombinant proteins found in E. coli. This amino acid is often made synthetically. DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase. DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase.

   

D-4-Hydroxyphenylglycine

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

C8H9NO3 (167.0582)


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

   

Acetylenedicarboxylic acid

2-Butynedioic acid, potassium salt

C4H2O4 (113.9953)


KEIO_ID A128

   

(R)-2-Benzylsuccinate

(R)-2-AMINO-BUT-3-EN-1-OLHYDROCHLORIDE

C11H12O4 (208.0736)


(R)-2-Benzylsuccinate is an aromatic compounds that is an intermediate in Benzoate degradation via CoA ligation. Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. (R)-2-Benzylsuccinate can be generated from toluene via the enzyme benzylsuccinate synthase (EC 4.1.99.11). It is then converted to Benzylsuccinyl-CoA via the enzyme benzylsuccinate CoA-transferase BbsE subunit (EC 2.8.3.15). [HMDB] (R)-2-Benzylsuccinate is an aromatic compounds that is an intermediate in Benzoate degradation via CoA ligation. Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. (R)-2-Benzylsuccinate can be generated from toluene via the enzyme benzylsuccinate synthase (EC 4.1.99.11). It is then converted to Benzylsuccinyl-CoA via the enzyme benzylsuccinate CoA-transferase BbsE subunit (EC 2.8.3.15). KEIO_ID B005

   

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

   

6-Thioinosine-5'-monophosphate

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

C10H13N4O7PS (364.0243)


6-Thioinosine-5-monophosphate 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)

   

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

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

C12H18O13 (370.0747)


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

   

Proteinase inhibitor E 64

3-[[[(1S)-1-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-(2S,3S)-oxiranecarboxylic acid

C15H27N5O5 (357.2012)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents KEIO_ID E015; [MS2] KO008950 KEIO_ID E015

   

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

   

S-Methylthioglycolate

(Methylthio)acetic acid

C3H6O2S (106.0088)


   

Z-Gly-Pro

Carbobenzoxyglycyl-L-proline

C15H18N2O5 (306.1216)


KEIO_ID Z003; [MS3] KO009084 KEIO_ID Z003; [MS2] KO009083 KEIO_ID Z003

   

Gibberellin A19

(1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid

C20H26O6 (362.1729)


Gibberellin A19 (GA19) belongs to the class of organic compounds known as C20-gibberellin 6-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Thus, gibberellin A19 is considered to be an isoprenoid lipid molecule. Gibberellin A19 is found in apple. Gibberellin A19 is a constituent of moso bamboo shoots (Phyllostachys edulis). Constituent of moso bamboo shoots (Phyllostachys edulis). Gibberellin A19 is found in many foods, some of which are swede, devilfish, vanilla, and canola. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins

   

Gibberellin A44

(1R,2R,5S,8S,9S,10S,11R)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylic acid

C20H26O5 (346.178)


Gibberellin A44 (GA44) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A44 is found in apple, Pisum sativum (pea), Spinacea oleracea (spinach), Triticum aestivum (wheat), Vicia faba, and other plants. Found in Pisum sativum (pea), Spinacea oleracea (spinach), Triticum aestivum (wheat), Vicia faba and other plants

   

Gibberellin A53

(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid

C20H28O5 (348.1937)


Gibberellin A53 (GA53) belongs to the class of organic compounds known as C20-gibberellin 6-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Thus, gibberellin A53 is considered to be an isoprenoid lipid molecule. Gibberellin A53 is found in apple. Gibberellin A53 is isolated from Vicia faba and spinach (Spinacia oleracea). Isolated from Vicia faba and spinach (Spinacia oleracea). Gibberellin A53 is found in many foods, some of which are sapodilla, cowpea, sorghum, and garden tomato.

   

Cyclic cmp

CYTIDINE 3:5-CYCLIC MONOPHOSPHATE

C9H12N3O7P (305.0413)


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

   

O-acetylhomoserine

O-Acetyl-L-homoserine hydrochloride

C6H11NO4 (161.0688)


Acetylhomoserine is found in pulses. Acetylhomoserine is found in Pisum sativum (peas) Acquisition and generation of the data is financially supported in part by CREST/JST. Found in green tissues of pea (Pisum sativum)

   

Glucotropaeolin

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

C14H19NO9S2 (409.0501)


Glucotropeolin belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Outside of the human body, glucotropaeolin has been detected, but not quantified in, several different foods, such as white mustards, garden cress, horseradish, cabbages, and Brassicas. This could make glucotropaeolin a potential biomarker for the consumption of these foods. Glucotropaeolin is isolated from seeds of Tropaeolum majus (garden nasturtium), Lepidium sativum (garden cress), and other crucifers. Isolated from seeds of Tropaeolum majus (garden nasturtium), Lepidium sativum (garden cress) and other crucifers. Glucotropaeolin is found in many foods, some of which are brassicas, horseradish, papaya, and white mustard. Acquisition and generation of the data is financially supported in part by CREST/JST.

   

3-hydroxyflavone

2-(3-hydroxyphenyl)chromen-4-one

C15H10O3 (238.063)


   

Rabelomycin

3,6,8-Trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

C19H14O6 (338.079)


   

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

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

C13H16O2 (204.115)


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

   

Santin

2- (4-Methoxyphenyl) -5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one

C18H16O7 (344.0896)


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

   

2,6-Dimethoxy-1,4-benzoquinone

3,5-Dimethoxy-1,4-benzoquinone; 3,5-Dimethoxybenzoquinone; NSC 24500

C8H8O4 (168.0423)


2,6-Dimethoxy-1,4-benzoquinone is a natural product found in Diospyros eriantha, Iris milesii, and other organisms with data available. 2,6-Dimethoxyquinone is a methoxy-substituted benzoquinone and bioactive compound found in fermented wheat germ extracts, with potential antineoplastic and immune-enhancing activity. 2,6-Dimethoxyquinone (2,6-DMBQ) inhibits anaerobic glycolysis thereby preventing cellular metabolism and inducing apoptosis. As cancer cells use the anaerobic glycolysis pathway to metabolize glucose and cancer cells proliferate at an increased rate as compared to normal, healthy cells, this agent is specifically cytotoxic towards cancer cells. In addition, 2,6-DMBQ exerts immune-enhancing effects by increasing natural killer (NK) cell and T-cell activity against cancer cells. See also: Acai fruit pulp (part of). 2,6-Dimethoxy-1,4-benzoquinone is found in common wheat. 2,6-Dimethoxy-1,4-benzoquinone is a constituent of bark of Phyllostachys heterocycla var. pubescens (moso bamboo) Constituent of bark of Phyllostachys heterocycla variety pubescens (moso bamboo). 2,6-Dimethoxy-1,4-benzoquinone is found in green vegetables and common wheat. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1]. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1].

   

4-Aminoisoxazolidin-3-one

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

C3H6N2O2 (102.0429)


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

   

Equilin

Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-

C18H20O2 (268.1463)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D04041

   

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

   

CERCOSPORIN

Cercosporin from Cercospora hayii

C29H26O10 (534.1526)


An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. CONFIDENCE isolated standard

   

Tryprostatin B

(3S-trans)-Hexahydro-3-[[2-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-pyrrolo[1,2-a]pyrazine-1,4-dione

C21H25N3O2 (351.1947)


A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a prenyl group. CONFIDENCE Penicillium amphipolaria

   

1-O-Acetyllycorine

Lycorine, 1-O-acetyl-

C18H19NO5 (329.1263)


   

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

   

beta-Zeacarotene

β-Zeacarotene

C40H58 (538.4538)


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

   

Lutein 5,6-epoxide

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

C40H56O3 (584.4229)


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

   

adonirubin

Phoenicoxanthin/ Adonirubin/ 3-Hydroxycanthaxanthin

C40H52O3 (580.3916)


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

   

2'-Hydroxygenistein

3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI

C15H10O6 (286.0477)


Isolated from Cajanus cajan (pigeon pea), Dolichos biflorus (papadi), Lablab niger (hyacinth bean), Phaseolus vulgaris (kidney bean) and Phaseolus coccineus (scarlet runner bean). 2-Hydroxygenistein is found in many foods, some of which are pulses, walnut, saskatoon berry, and garden tomato (variety). 2-Hydroxygenistein is found in adzuki bean. 2-Hydroxygenistein is isolated from Cajanus cajan (pigeon pea), Dolichos biflorus (papadi), Lablab niger (hyacinth bean), Phaseolus vulgaris (kidney bean) and Phaseolus coccineus (scarlet runner bean).

   

Salutaridinol

5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol

C19H23NO4 (329.1627)


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

   

1,2-Anthracenediol

1,2-Anthracenediol

C14H10O2 (210.0681)


   

(±)-2-Methylbutanal

(+/-)-2-methylbutyraldehyde

C5H10O (86.0732)


(±)-2-Methylbutanal, also known as 2-methylbutyraldehyde, belongs to the class of organic compounds known as short-chain aldehydes. These are an aldehyde with a chain length containing between 2 and 5 carbon atoms. (±)-2-Methylbutanal exists in all eukaryotes, ranging from yeast to humans. (±)-2-Methylbutanal is an almond, cocoa, and coffee tasting compound. (±)-2-Methylbutanal is found, on average, in the highest concentration within kohlrabis and milk (cow). (±)-2-Methylbutanal has also been detected, but not quantified, in several different foods, such as sugar apples, horned melons, hyacinth beans, persian limes, and root vegetables. (±)-2-Methylbutanal, with regard to humans, has been found to be associated with several diseases such as ulcerative colitis and nonalcoholic fatty liver disease; (±)-2-methylbutanal has also been linked to the inborn metabolic disorder celiac disease. (±)-2-methylbutanal, also known as 2-methylbutyraldehyde, is a member of the class of compounds known as short-chain aldehydes. Short-chain aldehydes are an aldehyde with a chain length containing between 2 and 5 carbon atoms (±)-2-methylbutanal is soluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-2-methylbutanal can be found primarily in feces and saliva. Within the cell, (±)-2-methylbutanal is primarily located in the cytoplasm. It can also be found in the extracellular space.

   

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

   

Ethyl octanoate

Octanoic acid ethyl ester (ethyl octanoate)

C10H20O2 (172.1463)


Ethyl octanoate is a fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and an octanoate ester. Ethyl octanoate is found in alcoholic beverages. Ethyl octanoate is used in many fruit flavourings. Ethyl octanoate is a constituent of plant oils. Also present in Swiss cheese, Camembert cheese, wheat bread, port wine, plum brandy, sparkling wine, apple, apricot, banana, cherry, orange, grapefruit, plum and other fruits. It is used in many fruit flavourings. Constituent of plant oilsand is) also present in Swiss cheese, Camembert cheese, wheat bread, port wine, plum brandy, sparkling wine, apple, apricot, banana, cherry, orange, grapefruit, plum and other fruits. Ethyl octanoate is found in many foods, some of which are milk and milk products, guava, cereals and cereal products, and pepper (c. frutescens).

   

5,6,7,8,3,4,5-Heptamethoxyflavone

2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

C22H24O9 (432.142)


   

isochorismate

(5S,6S)-5-[(1-carboxyeth-1-en-1-yl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid

C10H10O6 (226.0477)


Isochorismate, also known as isochorismic acid, belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Isochorismate is soluble (in water) and a weakly acidic compound (based on its pKa). Isochorismate can be found in a number of food items such as cucurbita (gourd), cherry tomato, chinese chestnut, and chinese water chestnut, which makes isochorismate a potential biomarker for the consumption of these food products. Isochorismate may be a unique E.coli metabolite.

   

L-Aspartate-semialdehyde

L-Aspartic acid beta-semialdehyde

C4H7NO3 (117.0426)


L-Aspartate-semialdehyde (CAS: 15106-57-7) is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways. In the lysine biosynthesis I pathway, L-aspartate-semialdehyde is produced from a reaction between L-aspartyl-4-phosphate and NADPH, with phosphate and NADP+ as byproducts. The reaction is catalyzed by aspartate-semialdehyde dehydrogenase. L-Aspartate-semialdehyde reacts with pyruvate to produce L-2,3-dihydrodipicolinate and water. Dihydrodipicolinate synthase catalyzes this reaction. In the homoserine biosynthesis pathway, L-aspartate-semialdehyde is produced from a reaction between L-aspartyl-4-phosphate and NADPH, with phosphate and NADP+ as byproducts. The reaction is catalyzed by aspartate-semialdehyde dehydrogenase. L-Aspartate-semialdehyde reacts with NAD(P)H and H+ to form homoserine and NAD(P)+. L-Aspartate-semialdehyde is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways.

   

Mandelonitrile

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

C8H7NO (133.0528)


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

   

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

2-Aceto-2-hydroxybutyric acid

C6H10O4 (146.0579)


   

3-Hydroxypropanal

3-hydroxypropanal

C3H6O2 (74.0368)


3-Hydroxypropanal is a broad-spectrum antimicrobial substance termed reuterin produced by Lactobacillus reuteri. L. reuteri resides in the gastrointestinal tract of healthy humans and animals, and is believed to. function as a symbiont in the enteric ecosystem. Synthesis of such an antimicrobial substance by an enteric resident raises a number of interesting questions and possibilities as to the role these residents may play in the health of the host. (PMID 3245697). In vivo, glycerol is converted in one enzymatic step into 3-Hydroxypropanal. The 3-Hydroxypropanal -producing Lactobacillus reuteri is used as a probiotic in the health care of humans and animals. 3-Hydroxypropanal forms, together with Hydroxypropanal-hydrate and Hydroxypropanal-dimer, a dynamic, multi-component system (Hydroxypropanal system) used in food preservation, as a precursor for many modern chemicals such as acrolein, acrylic acid, and 1,3-propanediol (1,3-PDO), and for polymer production. 3-Hydroxypropanal can be obtained both through traditional chemistry and bacterial fermentation. To date, 3-HPA has been produced from petrochemical resources as an intermediate in 1,3-PDO production. The biotechnological production of 3-Hydroxypropanal from renewable resources is desirable both for use of 3-Hydroxypropanal in foods and for the production of bulk chemicals. The main challenge will be the efficient production and recovery of pure 3-Hydroxypropanal. (PMID 14669058). 3-Hydroxypropanal is a broad-spectrum antimicrobial substance termed reuterin produced by Lactobacillus reuteri. L. reuteri resides in the gastrointestinal tract of healthy humans and animals, and is believed to Reuterin is a broad-spectrum antimicrobial agent active against Gram positive and Gram negative bacteria, as well as yeasts, moulds and protozoa. Reuterin is produced by specific strains of Lactobacillus reuteri during anaerobic metabolism of glycerol. Reuterin also demonstrates potent antimicrobial activity against a broad panel of human and poultry meat campylobacter spp. Isolates[1][2]. Reuterin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2134-29-4 (retrieved 2024-12-12) (CAS RN: 2134-29-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Coelenterazine h

Renilla luciferin

C26H21N3O2 (407.1634)


   

Formylmethanofuran

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

C35H44N4O16 (776.2752)


   

Uroporphyrinogen III

3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid

C40H44N4O16 (836.2752)


Uroporphyrinogens are porphyrinogen variants in which each pyrrole ring has one acetate side chain and one propionate side chain; it is formed by condensation 4 four molecules of porphobilinogen. 4 isomers are possible but only 2 commoly are found, types I and III. Uroporphyrinogen III is a functional intermediate in heme biosynthesis while Uroporphyrinogen I is produced in an abortive side reaction. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

6-Phosphonoglucono-D-lactone

[(2R,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methyl dihydrogen phosphoric acid

C6H11O9P (258.0141)


6-phosphonoglucono-d-lactone, also known as D-glucono-1,5-lactone 6-phosphate or 6-pgdl, is a member of the class of compounds known as hexose phosphates. Hexose phosphates are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. 6-phosphonoglucono-d-lactone is soluble (in water) and a moderately acidic compound (based on its pKa). 6-phosphonoglucono-d-lactone can be found in a number of food items such as chicory leaves, pepper (c. chinense), opium poppy, and green bell pepper, which makes 6-phosphonoglucono-d-lactone a potential biomarker for the consumption of these food products. 6-phosphonoglucono-d-lactone can be found primarily in cellular cytoplasm. 6-phosphonoglucono-d-lactone exists in all living species, ranging from bacteria to humans. In humans, 6-phosphonoglucono-d-lactone is involved in warburg effect, which is a metabolic disorder. 6-phosphoglucono-delta-lactone (d-6PGL) is the immediate product of the Glucose-6-phosphate dehydrogenase (G-6-PD), the first enzyme of the hexose monophosphate pathway. (PMID 3711719). The pentose-phosphate pathway provides reductive power and nucleotide precursors to the cell through oxidative and nonoxidative branches. 6-Phosphogluconolactonase is the second enzyme of the oxidative branch and catalyzes the hydrolysis of 6-phosphogluconolactones, the products of glucose 6-phosphate oxidation by glucose-6-phosphate dehydrogenase. By efficiently catalyzing the hydrolysis of d-6PGL, 6-phosphogluconolactonase prevents the reaction between d-6PGL and intracellular nucleophiles; such a reaction would interrupt the functioning of the pentose-phosphate pathway. (PMID 11457850).

   

Glycinol

8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triol

C15H12O5 (272.0685)


Constituent of soybean seedlings (Glycine max) and kudzu (Pueraria thunbergiana). Glycinol is found in many foods, some of which are scarlet bean, soy bean, gram bean, and pulses. Glycinol is found in gram bean. Glycinol is a constituent of soybean seedlings (Glycine max) and kudzu (Pueraria thunbergiana).

   

Uridine 3'-monophosphate

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

C9H13N2O9P (324.0359)


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

   

Tyr-OEt

Ethyl 2-amino-3-(4-hydroxyphenyl)propanoate

C11H15NO3 (209.1052)


   

Hydrogen selenide

Hydrogen selenide, 75Se-labeled

H2Se (81.9322)


Hydrogen selenide is a metabolite of selenium which could have potential antiangiogenic effect in the chemoprevention of cancer. The hydrogen selenide is a key intermediate in the selenium methylation metabolism of inorganic and organic selenium compounds. Accumulation of the hydrogen selenide resulting from inhibition of the selenium methylation metabolism, detoxification metabolic pathway of selenium, is found in animals following repeated administration of a toxic dose of selenocystine. The excess of the hydrogen selenide produced by inhibition of the selenium methylation metabolism contributes to the hepatotoxicity caused by selenocystine. (PMID: 9414580, 11799926) [HMDB] Hydrogen selenide is a metabolite of selenium which could have potential antiangiogenic effect in the chemoprevention of cancer. The hydrogen selenide is a key intermediate in the selenium methylation metabolism of inorganic and organic selenium compounds. Accumulation of the hydrogen selenide resulting from inhibition of the selenium methylation metabolism, detoxification metabolic pathway of selenium, is found in animals following repeated administration of a toxic dose of selenocystine. The excess of the hydrogen selenide produced by inhibition of the selenium methylation metabolism contributes to the hepatotoxicity caused by selenocystine. (PMID: 9414580, 11799926).

   

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.

   

Ac-Tyr-OEt

ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate

C13H17NO4 (251.1158)


   

Nitroethane

Ethylnitronate

C2H5NO2 (75.032)


   

Pentalenene

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

C15H24 (204.1878)


   

Ethanethioic acid

Thioacetic acid, potassium salt

C2H4OS (75.9983)


Ethanethioic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Trithionate

Trithionate

O6S3-2 (191.8857)


   

(+)-Sabinone

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

C10H14O (150.1045)


(+)-sabinone 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, (+)-sabinone is considered to be an isoprenoid lipid molecule (+)-sabinone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-sabinone can be found in common sage, which makes (+)-sabinone a potential biomarker for the consumption of this food product.

   

Aspulvinone E

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

C17H12O5 (296.0685)


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

   

Cyclopentanol

Cyclopentyl alcohol

C5H10O (86.0732)


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

   

Deoxycytosine

2,3-dihydropyrimidin-4-amine

C4H7N3 (97.064)


   

Plastoquinol-1

2,3-dimethyl-5-(3-methylbut-2-enyl)-benzene-1,4-diol

C13H18O2 (206.1307)


   

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.

   

3-Oxopentanoic acid

3-oxo-pentanoic acid

C5H8O3 (116.0473)


   

Anthranilyl-CoA

Anthraniloyl-CoA; 2-Aminobenzoyl-CoA

C28H41N8O17P3S (886.1523)


   

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.

   

5-Hydroxypentanoic acid

delta-Hydroxypentanoic acid

C5H10O3 (118.063)


5-Hydroxypentanoic acid belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. 5-Hydroxypentanoic acid has been found to be a microbial metabolite (PMID: 20615997).

   

PPACK

D-Phe-Pro-Arg-CH2Cl

C21H31ClN6O3 (450.2146)


   

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).

   

2-hydroxyphytanic acid

(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid

C20H40O3 (328.2977)


A methylated long-chain hyroxy fatty acid formed during alpha-oxidation of phytanic acid by liver mitochondria and peroxisomes, but it is detected in tissues only in patients with peroxisomal disorders.

   

Phorbol 13-butanoate

Phorbol 13-butanoate

C24H34O7 (434.2304)


   

Uridine 2'-phosphate

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

C9H13N2O9P (324.0359)


Uridine 2- phosphate is a product of the decylclization reaction carried out by the enzyme 2,3-cyclic nucleotide-3-phosphodiesterase (CNPase, EC 3.1.4.37) which hydrolyses Uridine 2,3-cyclic phosphate to Uridine 2-phosphate. CNPase is a unique RNase in that it only cleaves nucleoside 2,3-cyclic phosphates and not the RNA internucleotide linkage, like other RNases such as RNase A and RNase T1. [HMDB] Uridine 2- phosphate is a product of the decylclization reaction carried out by the enzyme 2,3-cyclic nucleotide-3-phosphodiesterase (CNPase, EC 3.1.4.37) which hydrolyses Uridine 2,3-cyclic phosphate to Uridine 2-phosphate. CNPase is a unique RNase in that it only cleaves nucleoside 2,3-cyclic phosphates and not the RNA internucleotide linkage, like other RNases such as RNase A and RNase T1.

   

3-Hydroxyhexobarbital

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

C12H16N2O4 (252.111)


   

L-Glutamic acid 5-phosphate

(2S)-2-Amino-5-oxo-5-(phosphonooxy)pentanoic acid

C5H10NO7P (227.0195)


L-Glutamic acid 5-phosphate is an intermediate in the urea cycle and the metabolism of amino groups. It is a substrate of aldehyde dehydrogenase 18 family, member A1 [EC:2.7.2.11 1.2.1.41] (KEGG)In citrulline biosynthesis, it is a substrate of the enzyme glutamate-5-semialdehyde dehydrogenase [EC 1.2.1.41] and in proline synthesis it is a substrate of the enzyme Glutamate 5-kinase [EC 2.7.2.11] (BioCyc). L-Glutamic acid 5-phosphate is an intermediate in the urea cycle and metabolism of amino groups, a substrate of aldehyde dehydrogenase 18 family, member A1 [EC:2.7.2.11 1.2.1.41] (KEGG)

   

2-Thiopheneacetonitrile

2-Thiopheneacetonitrile

C6H5NS (123.0143)


   

trans-2,3-Epoxysuccinate

(+/-)-THIOPENTALSODIUMSALT/SODIUMCARBONATE

C4H4O5 (132.0059)


   

20-Hydroxy-leukotriene E4

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoic acid

C23H37NO6S (455.2341)


20-Hydroxy-leukotriene E4 is a metabolite that can originate from the lipid oxidation of leukotriene E4 (LTE4). LTE4 is a cysteinyl leukotriene. Cysteinyl leukotrienes (CysLTs) are a family of potent inflammatory mediators that appear to contribute to the pathophysiologic features of allergic rhinitis. Nasal blockage induced by CysLTs is mainly due to dilatation of nasal blood vessels which can be induced by the nitric oxide produced through CysLT1 receptor activation. LTE4 activates contractile and inflammatory processes via specific interactions with putative seven transmembrane-spanning receptors that couple to G proteins and subsequent intracellular signaling pathways. LTE4 is metabolized from leukotriene C4 in a reaction catalyzed by gamma-glutamyl transpeptidase and a particulate dipeptidase from kidney (PMID: 12607939, 12432945, 6311078). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent and are able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis through receptor-mediated G-protein linked signaling pathways.

   

4-Chlorobenzyl cyanide

4-Chlorophenylacetonitrile; 4-Chlorobenzyl cyanide

C8H6ClN (151.0189)


   

11a-Hydroxyprogesterone

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

C21H30O3 (330.2195)


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

   

Strombine

2,2-(Methylazanediyl)diacetic acid

C5H9NO4 (147.0532)


   

3beta-Hydroxy-delta5-steroid

2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-10,13-DIMETHYL-1H-CYCLOPENTA[A]PHENANTHREN-3-OL

C19H30O (274.2297)


   

nonaprenyl-4-hydroxybenzoate

3-Nonaprenyl-4-hydroxybenzoic acid

C52H78O3 (750.5951)


   

SCHEMBL534447

Isobutyraldoxime O-methyl ether

C5H11NO (101.0841)


   

3-Hydroxy-4-methylanthranilate

4-Methyl-3-hydroxyanthranilic acid

C8H9NO3 (167.0582)


   

3-Hydroxyisobutyryl-CoA

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)


   

5-Carboxy-2-oxohept-3-enedioate

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

C8H8O7 (216.027)


   

CMP-KDO

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

C17H26N3O15P (543.1101)


   

1,8-diazacyclotetradecane-2,9-dione

1,8-diazacyclotetradecane-2,9-dione

C12H22N2O2 (226.1681)


   

boc-dl-leucine

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

C11H21NO4 (231.1471)


   

BENZOYLARGININE NITROANILIDE

N-Benzoyl-D-arginine-4-nitroanilide

C19H22N6O4 (398.1702)


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

   

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]

   

Inosine, 1,6-dihydro-

6-Hydroxyl-1,6-dihydropurine ribonucleoside

C10H14N4O5 (270.0964)


   

D-Erythro-imidazole-glycerol-phosphate

[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxy]phosphonic acid

C6H11N2O6P (238.0355)


D-Erythro-imidazole-glycerol-phosphate belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. D-Erythro-imidazole-glycerol-phosphate is a very strong basic compound (based on its pKa). Outside of the human body, D-erythro-imidazole-glycerol-phosphate has been detected, but not quantified in, several different foods, such as mammee apples, scarlet beans, grass pea, olives, and bog bilberries. This could make D-erythro-imidazole-glycerol-phosphate a potential biomarker for the consumption of these foods. D-Erythro-imidazole-glycerol-phosphate is an intermediate in histidine metabolism. It is a substrate for imidazoleglycerol-phosphate dehydratase (hisB) and can be generated from phosphoribulosylformimino-AICAR-P. D-Erythro-imidazole-glycerol-phosphate is an intermediate in Histidine metabolism. It is a substrate for imidazoleglycerol-phosphate dehydratase (hisB) and can be generated from Phosphoribulosyl-formimino-AICAR-phosphate then it is converted to Imidazole-acetol phosphate. [HMDB]. D-Erythro-imidazole-glycerol-phosphate is found in many foods, some of which are buffalo currant, fruits, hyacinth bean, and small-leaf linden.

   

Trioxilin A3

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

C20H34O5 (354.2406)


   

Lipid A disaccharide

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

C68H129N2O20P (1324.8876)


   

Histidylleucine

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

C12H20N4O3 (268.1535)


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

   

(S)-3-Hydroxy-N-methylcoclaurine

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

C18H21NO4 (315.1471)


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

   

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).

   

3-Oxohexanoyl-CoA

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

C27H44N7O18P3S (879.1676)


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

   

19-Oxotestosterone

(1S,2S,10S,11S,14S,15S)-14-hydroxy-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carbaldehyde

C19H26O3 (302.1882)


19-oxotestosterone, also known as 19-aldehyde-testosterone, belongs to androgens and derivatives class of compounds. Those are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. 19-oxotestosterone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 19-oxotestosterone can be found in a number of food items such as tree fern, italian sweet red pepper, anise, and atlantic herring, which makes 19-oxotestosterone a potential biomarker for the consumption of these food products. 19-oxotestosterone can be found primarily throughout most human tissues. In humans, 19-oxotestosterone is involved in the androgen and estrogen metabolism. 19-oxotestosterone is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. 19-Oxotestosterone is catalyzed by Aromatase (EC 1.14.14.1),also called estrogen synthetase (a cytochrome P450 enzyme which catalyzes the formation of aromatic C18 estrogens from C19 androgens; it is symbolized CYP19) into oestrogens via sequential oxidations at the 19-methyl group. Biosynthesis of estrogens from C19 steroids is catalyzed by aromatase and its tissue-specific expression is determined at least in part by alternative use of tissue-specific promoters, which give rise to transcripts with unique 5-prime noncoding termini.(OMIM 107910).

   

Hydroxy(oxo)phosphanium

Hydroxy(oxo)phosphanium

H2O2P+ (64.9792)


   

Psicofuranine

9-D-Psicofuranosyl-6-aminopurine

C11H15N5O5 (297.1073)


   

dihydrocorticosterone

17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one

C21H32O4 (348.23)


   

AC1NOTCJ

Thiourocanic acid

C6H6N2O2S (170.015)


   

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)

   

3,4-Dihydroxystyrene

4-Vinylbenzene-1,2-diol

C8H8O2 (136.0524)


   

5-Guanylylmethylenediphosphonate

Guanosine 5-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid

C11H18N5O13P3 (521.0114)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents

   

Norreticuline

(R)-Norreticuline

C18H21NO4 (315.1471)


   

Harmalol

1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol hydrochloride

C12H12N2O (200.095)


Harmalol is found in fruits. Harmalol is an alkaloid from Passiflora incarnata (maypops). Harmaline is a reversible inhibitor of MAO-A (RIMA). Harmine is a reversible inhibitor of MAO-A (RIMA). It is important to note that unlike synthetic pharmaceutical MAOIs such as phenelzine, harmine is reversible and selective meaning it does not have nearly as high a risk for the "cheese syndrome" caused by consuming tyramine-containing foods, which is a risk associated with monoamine oxidase A inhibitors, but not monoamine oxidase B inhibitors. Several alkaloids that function as monoamine oxidase inhibitors (MAOIs) are found in the seeds of Peganum harmala (also known as Harmal or Syrian Rue), including harmine, harmaline, and harmalol, which are members of a group of substances with a similar chemical structure collectively known as harmala alkaloids. These alkaloids are of interest for their use in Amazonian shamanism, where they are derived from other plants. The harmala alkaloid harmine which was once known as Telepathine and Banisterine is a naturally occurring beta-carboline alkaloid that is structurally related to harmaline, and also found in the vine Banisteriopsis caapi. Tetrahydroharmine is also found in B. caapi, but not P. harmala. Dr. Alexander Shulgin has suggesed that harmaline may be a breakdown product of harmine. Harmine and harmaline are reversible MAOIs of the MAO-A isoform of the enzyme, and can stimulate the central nervous system by inhibiting the metabolism of monoamine compounds such as serotonin and norepinephrine. The harmala alkaloids occur in Peganum harmala in concentrations of roughly 3\\%, though tests have documented anywhere from 2-7\\%, as natural sources tend to vary widely in chemical makeup. Harmala alkaloids are also found in the Banisteriopsis caapi vine, the key plant ingredient in the sacramental beverage Ayahuasca, in concentrations that range between 0.31-8.43\\% for harmine, 0.03-0.83\\% for harmaline and 0.05-2.94\\% for tetrahydroharmine. Other psychoactive plants are often added to Ayahuasca to achieve visionary states of consciousness; for example leaves from Psychotria viridis, which is a source of dimethyltryptamine (DMT). The harmala alkaloids serve to potentiate these brewed compounds by preventing their breakdown in the digestive tract. The harmala alkaloids are not especially psychoactive on their own, even at high dosages, when vomiting and diarrhea become the main effect Alkaloid from Passiflora incarnata (maypops)

   

1,2,4-Trichlorobenzene

1,2,4-trichlorobenzene-ul-14c

C6H3Cl3 (179.93)


   

1,2-Dichloroethene

trans-Acetylene dichloride

C2H2Cl2 (95.9534)


   

OCTAMETHYLTRISILOXANE

OCTAMETHYLTRISILOXANE

C8H24O2Si3 (236.1084)


P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides D001697 - Biomedical and Dental Materials

   

Phosphoramide mustard

amino[bis(2-chloroethyl)amino]phosphinic acid

C4H11Cl2N2O2P (219.9935)


Phosphoramide mustard is a metabolite of cyclophosphamide. Cyclophosphamide (trade names Endoxan, Cytoxan, Neosar, Procytox, Revimmune), also known as cytophosphane, is a nitrogen mustard alkylating agent, from the oxazophorines group. An alkylating agent adds an alkyl group (CnH2n+1) to DNA. It attaches the alkyl group to the guanine base of DNA, at the number 7 nitrogen atom of the imidazole ring. It is used to treat various types of cancer and some autoimmune disorders. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

   

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

   

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

   

Quinupristin

N-[(3S,6S,12R,15S,16R,19S)-25-{[(3S)-1-azabicyclo[2.2.2]octan-3-ylsulfanyl]methyl}-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0⁶,¹⁰]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide

C53H67N9O10S (1021.4731)


Quinupristin/dalfopristin is a combination of two antibiotics used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium. Dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome and quinupristin inhibits the late phase of protein synthesis. The combination of the two components acts synergistically and is more effective in vitro than each component alone. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D025361 - Streptogramins Quinupristin is a streptogramin antibiotic. Quinupristin blocks peptide bond synthesis to prevent the extension of polypeptide chains and promote the detachment of incomplete protein chains in the bacterial ribosomal subunits[1] [2].

   

cefuroxime axetil

cefuroxime axetil

C20H22N4O10S (510.1057)


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

   

fosfestrol

Diethylstilbestrol Diphosphate

C18H22O8P2 (428.079)


L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D000970 - Antineoplastic Agents

   

Kenacourt

Triamcinolone diacetate

C25H31FO8 (478.2003)


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

   

1-Propanethiol

Propanethiol, sodium salt

C3H8S (76.0347)


1-Propanethiol, also known as N-propylthiol or propyl mercaptan, belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. 1-Propanethiol is a sweet, cabbage, and gassy tasting compound. 1-Propanethiol has been detected, but not quantified, in several different foods, such as garden onions, fruits, cabbages, wild leeks, and onion-family vegetables. Isolated from onion (Allium cepa) and other Allium sspecies Also present in cooked chicken, beef, beer, American potato chips and durian (Durio zibethinus). 1-Propanethiol is found in many foods, some of which are fruits, wild leek, yellow wax bean, and animal foods.

   

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.

   

Atisine

Anthorine

C22H33NO2 (343.2511)


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

   

delcosine

CID 441725

C24H39NO7 (453.2726)


   

Dihydroeuparin

5-Acetyl-6-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran

C13H14O3 (218.0943)


   

Ajugalactone

(2S,3R,5R,9R,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4-ethyl-6-keto-5-methyl-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,15,16,17-decahydrocyclopenta[a]phenanthrene-6,12-quinone

C29H40O8 (516.2723)


   

Eburnamine

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

C19H24N2O (296.1889)


   

Simplexin

CID 442086

C30H44O8 (532.3036)


   

Isothebaine

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

C19H21NO3 (311.1521)


   

Thujopsene

(-)-thujopsene

C15H24 (204.1878)


A thujopsene that has (S,S,S)-configuration.

   

Acetone oxime

N-(propan-2-ylidene)hydroxylamine

C3H7NO (73.0528)


   

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

   

Frangulin B

Frangulin B

C20H18O9 (402.0951)


   

Dihydroconiferyl alcohol

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

C10H14O3 (182.0943)


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

   

Pisatin

16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13,15,17-hexaen-1-ol

C17H14O6 (314.079)


Stress metabolite from Pisum sativum (pea) and Trifolium pratense (red clover). Pisatin is found in many foods, some of which are pulses, tea, common pea, and herbs and spices. Pisatin is found in common pea. Pisatin is a stress metabolite from Pisum sativum (pea) and Trifolium pratense (red clover). D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents

   

Texasin

6,7-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone

C16H12O5 (284.0685)


   

Decalin

Decaline; Decalin

C26H31NO5 (437.2202)


   

gamma-Fagarine

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

C13H11NO3 (229.0739)


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

   

Simplexoside

(+)-Piperitol beta-glucoside

C26H30O11 (518.1788)


   

Methyl oxalate

Dimethyl oxalate

C4H6O4 (118.0266)


   

Butyl acrylate

Acrylic acid butyl ester

C7H12O2 (128.0837)


   

Chlorimuron ethyl

CHLORIMURON-ETHYL

C15H15ClN4O6S (414.0401)


   

Preforan

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

C13H7F3N2O5 (328.0307)


   

TCE epoxide

Epoxy-1,1,2-trichloroethane

C2HCl3O (145.9093)


TCE epoxide, also known as Trichloroethylene epoxide or 1,1,2-Trichloroepoxyethane, is classified as a member of the Epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). TCE epoxide is considered to be slightly soluble (in water) and basic

   

Thiocarbohydrazide

1,3-Diamino-2-thiourea

CH6N4S (106.0313)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

2,4-Dinitrophenylhydrazine

2,4-Dinitro-3,5,6-trideuterophenylhydrazine

C6H6N4O4 (198.0389)


   

S-Octyl GSH

S-Octyl glutathione

C18H33N3O6S (419.209)


   

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)


   

N-Acetyl-DL-phenylalanine beta-naphthyl ester

naphthalen-2-yl 2-acetamido-3-phenylpropanoate

C21H19NO3 (333.1365)


   

FA 10:2;O

7R-hydroxy-2,4-dimethyl-2E,4E-octadienoic acid

C10H16O3 (184.1099)


   

(3beta,4beta,5alpha)-4-Methylergosta-7,24(28)-dien-3-ol

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

C30H50O (426.3861)


(3beta,4beta,5alpha)-4-Methylergosta-7,24(28)-dien-3-ol is isolated from marigold (Calendula officinalis) flowers.

   

Mikamycin B

N-(3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0⁶,¹⁰]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide

C45H54N8O10 (866.3963)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D025361 - Streptogramins Pristinamycin IA (Mikamycin B) is a cycle-peptidic macrolactone antibiotic. Pristinamycin IA is a substrate of P-glycoprotein and inhibits its function. Pristinamycin IA is active against StaphyloEoccus and Srreptococcus[1].

   

candoxatrilat

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

C20H33NO7 (399.2257)


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

   

Clindamycin phosphate

[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate

C18H34ClN2O8PS (504.1462)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides C784 - Protein Synthesis Inhibitor > C82922 - Lincosamide Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic Same as: D01073

   

SK&F 91581

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

C8H14N4S (198.0939)


   

alpha-Methyl-m-tyrosine

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

C10H13NO3 (195.0895)


   

Candol B

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

C20H32O (288.2453)


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

   

ent-Kaur-16-en-19-al

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

C20H30O (286.2297)


ent-16-Kauren-19-al is found in fruits. ent-16-Kauren-19-al is a constituent of the root of Annona squamosa (sugar apple).

   

Methanophenazine

Methanophenazine; 2-(2,3-Dihydro-all-trans-pentaprenyloxy)phenazine; 2-(2,3-Dihydropentaprenyloxy)phenazine

C37H50N2O (538.3923)


   

Cladinose

L-Cladinose

C8H16O4 (176.1049)


   

2-Amino-9,10-epoxy-8-oxodecanoic acid

2-amino-8-oxo-9,10-epoxy-decanoic acid

C10H17NO4 (215.1158)


   

L-2-Amino-3-(4-aminophenyl)propanoic acid

4-Aminophenylalanine, (L)-isomer, 14C and 15N-labeled

C9H12N2O2 (180.0899)


L-2-Amino-3-(4-aminophenyl)propanoic acid is found in pulses. L-2-Amino-3-(4-aminophenyl)propanoic acid is a constituent of the famine food Vigna vexillata

   

Crinine

1,2-Didehydrocrinan-3-ol

C16H17NO3 (271.1208)


   

Powellin

7-Methoxy-1,2-didehydrocrinan-3-ol, (3.alpha.)-

C17H19NO4 (301.1314)


   

3-Buten-1-amine

3-Buten-1-amine

C4H9N (71.0735)


   

Urdamycin A

Kerriamycin B

C43H56O17 (844.3517)


   

Auramycinone

SCHEMBL11062020

C21H18O8 (398.1002)


   

methyl aklanonate

Aklanonic acid methyl ester

C22H18O8 (410.1002)


   

3,4,6-TRICHLOROCATECHOL

3,4,6-TRICHLOROCATECHOL

C6H3Cl3O2 (211.9199)


   

FT-0669272

11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate

C28H40O7 (488.2774)


D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents Same as: D01886

   

3-Hexaprenyl-4-hydroxybenzoic acid

3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxybenzoic acid

C37H54O3 (546.4073)


3-hexaprenyl-4-hydroxybenzoic acid is a member of the class of compounds known as polyprenylphenols. Polyprenylphenols are compounds containing a polyisoprene chain attached to a phenol group. Thus, 3-hexaprenyl-4-hydroxybenzoic acid is considered to be a quinone lipid molecule. 3-hexaprenyl-4-hydroxybenzoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-hexaprenyl-4-hydroxybenzoic acid can be found in a number of food items such as grass pea, pine nut, muskmelon, and white mustard, which makes 3-hexaprenyl-4-hydroxybenzoic acid a potential biomarker for the consumption of these food products. 3-hexaprenyl-4-hydroxybenzoic acid exists in all eukaryotes, ranging from yeast to humans. In humans, 3-hexaprenyl-4-hydroxybenzoic acid is involved in the ubiquinone biosynthesis. 3-hexaprenyl-4-hydroxybenzoate is an intermediate in ubiquinone biosynthesis and is produced from 4-hydroxybenzoate by the enzyme 4-hydroxybenzoate hexaprenyltransferase.

   

Thio-THIP

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

C6H8N2OS (156.0357)


   

TRAM-3

(2-Chlorophenyl)diphenylmethanol

C19H15ClO (294.0811)


   

2-Naphthaldehyde

2-Naphthalenecarboxaldehyde

C11H8O (156.0575)


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

   

Sulfoacetic acid

2-Sulphoacetic acid

C2H4O5S (139.9779)


   

4,4-Dioxystilbene

4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol

C14H12O2 (212.0837)


   

4-Dodecylphenol

4-n-Dodecylphenol

C18H30O (262.2297)


   

2,4-DB

4-(2,4-Dichlorophenoxy)butanoic acid

C10H10Cl2O3 (248.0007)


   

16-Dehydropregenolone Acetate

3beta-Acetyloxy-pregna-5,16-dien-20-one

C23H32O3 (356.2351)


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

   

Didecyl phthalate

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

C28H46O4 (446.3396)


   

Tridecanol

1-Tridecanol, trialuminum salt

C13H28O (200.214)


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

   

9-Hydroxybenzo[a]pyrene

pentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1,3,5,7,9(19),10,12(20),13,15,17-decaen-4-ol

C20H12O (268.0888)


9-Hydroxybenzo[a]pyrene, also known as benzo[Def]chrysen-9-ol or 9-hydroxybenzo(a)Pyrene, 3H-labeled, is classified as a member of the Benzopyrenes. Benzopyrenes are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. 9-Hydroxybenzo[a]pyrene is considered to be practically insoluble (in water) and acidic

   

(±)-2,4,6-Triphenyl-1-hexene

(3,5-diphenylhex-5-en-1-yl)benzene

C24H24 (312.1878)


Styrene trimer. Present as an impurity in polystyrene food containers and other products - liberated on heating. Styrene trimer. Present as an impurity in polystyrene food containers and other products - liberated on heating

   

2,4-Diphenyl-1-butene

1,1-(1-Methylene-1,3-propanediyl)bisbenzene, 9ci

C16H16 (208.1252)


2,4-Diphenyl-1-butene is a styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heatin

   

Drostanolone

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

C20H32O2 (304.2402)


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

   

6alpha-Hydroxypregnanolone

3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one

C21H34O3 (334.2508)


   

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

   

11H-14,15-EETA

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

C20H32O4 (336.23)


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

   

Benzo[a]pyrene-4,5-oxide

18-oxahexacyclo[10.7.2.0³,⁸.0⁹,²⁰.0¹⁶,²¹.0¹⁷,¹⁹]henicosa-1,3,5,7,9(20),10,12(21),13,15-nonaene

C20H12O (268.0888)


This compound belongs to the family of Chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene. D009676 - Noxae > D002273 - Carcinogens

   

2alpha-Methylandrosterone

3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one

C20H32O2 (304.2402)


   

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

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

C19H16I2O3 (545.9189)


   

Thallium

Thallium chloride, (203)TL,(35)CL-labeled

ClTl (239.9433)


A mercury-thallium alloy, which forms a eutectic at 8.5\\% thallium, is reported to freeze at -60 C, some 20 °C below the freezing point of mercury. This alloy is used in thermometers and low-temperature switches. In organic synthesis thallium(III) salts, as thallium trinitrate or triacetate, are useful reagents performing different transformations in aromatics, ketones, olefins, among others. Thallium is a constituent of the alloy in the anode plates in magnesium seawater batteries. Soluble thallium salts are added to gold plating baths to increase the speed of plating and to reduce grain size within the gold layer. A thallium stress test is a form of scintigraphy, where the amount of thallium in tissues correlates with tissue blood supply. Viable cardiac cells have normal Na+/K+ ion exchange pumps. The Tl+ cation binds the K+ pumps and is transported into the cells. Exercise or dipyridamole induces widening (vasodilation) of normal coronary arteries. This produces coronary steal from areas where arteries are maximally dilated. Areas of infarct or ischemic tissue will remain "cold". Pre- and post-stress thallium may indicate areas which will benefit from myocardial revascularization. Redistribution indicates the existence of coronary steal and the presence of ischemic coronary artery disease. Although thallium is a modestly abundant element in the Earths crust, with a concentration estimated to be about 0.7 mg/kg, mostly in association with potassium-based minerals in clays, soils, and granites, thallium is not generally economically recoverable from these sources. The major source of thallium for practical purposes is the trace amount that is found in copper, lead, zinc, and other heavy-metal-sulfide ores. One of the main methods of removing thallium (both radioactive and normal) from humans is to use Prussian blue, which is a material which absorbs thallium. Up to 20 g per day of Prussian blue is fed by mouth to the person, and it passes through their digestive system and comes out in the stool. Hemodialysis and hemoperfusion are also used to remove thallium from the blood serum. At later stage of the treatment additional potassium is used to mobilize thallium from the tissue. Thallium is a chemical element with the symbol Tl and atomic number 81. This soft gray poor metal resembles tin but discolors when exposed to air. Chemists William Crookes and Claude-Auguste Lamy discovered thallium independently in 1861 by the newly developed method of flame spectroscopy. Each discovered the new element in residues of sulfuric acid production. Thallium and its compounds are extremely toxic, and should be handled with great care. There are numerous recorded cases of fatal thallium poisoning. Contact with skin is dangerous, and adequate ventilation should be provided when melting this metal. Thallium(I) compounds have a high aqueous solubility and are readily absorbed through the skin. Exposure to them should not exceed 0.1 mg per m2 of skin in an 8-hour time-weighted average (40-hour work week). Thallium is a suspected human carcinogen. For a long time thallium compounds were easily available as rat poison. This fact and that it is water soluble and nearly tasteless led to frequent intoxications caused by accident or criminal intent. Thallium can also be obtained from the smelting of lead and zinc ores. Manganese nodules found on the ocean floor also contain some thallium, but the collection of these nodules has been and continues to be prohibitively expensive. There is also the potential for damaging the environment of the oceans. In addition, several other thallium minerals, containing 16\\% to 60\\% thallium, occur in nature as complexes of sulfides or selenides that primarily contain antimony, arsenic, copper, lead, and/or silver. However, these minerals are rare, and they have had no commercial importance as sources of thallium. The Allchar deposit in southern Macedonia was the only area where thallium was ever actively mined. This dep...

   

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)


   

Melithiazol A

Melithiazole A

C20H26N2O4S2 (422.1334)


   

Pyoverdine I

Pyoverdin Pa A

C55H83N17O22 (1333.5898)


   

Triostin A

N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide

C50H62N12O12S2 (1086.4051)


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

   

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.

   

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.

   

2-Nitrobenzoic acid

O-Carboxynitrobenzene

C7H5NO4 (167.0219)


   

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.

   

(Z)-3-Hexenal

Caproic aldehyde

C6H10O (98.0732)


(Z)-3-Hexenal is found in fruits. (Z)-3-Hexenal is a flavouring ingredient. (Z)-3-Hexenal is present in apple, cucumber, grape, banana, raspberry, strawberry, black tea and tomat (Z)-3-Hexenal is a flavouring ingredient. It is found in many foods, some of which are: apple, cucumber, grape, banana, raspberry, strawberry, black tea and tomato. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

   

alpha-Hydroxy-N-desmethyltamoxifen

(3E)-4-{4-[2-(methylamino)ethoxy]phenyl}-3,4-diphenylbut-3-en-2-ol

C25H27NO2 (373.2042)


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

   

CAI-1

(S)-3-hydroxytridecan-4-one

C13H26O2 (214.1933)


   

3-Hydroxyvalproic acid

2-N-Propyl-3-hydroxypentanoic acid

C8H16O3 (160.1099)


3-Hydroxyvalproic acid is only found in individuals that have used or taken Valproic Acid. 3-Hydroxyvalproic acid is a metabolite of Valproic Acid. 3-hydroxyvalproic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

   

Isovaltrate

Isovaltrate

C22H30O8 (422.1941)


   

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

   

Kahalalide F

deamino-hLeu-D-Val-Thr-Val-D-Val-D-Pro-Orn-D-xiIle-D-aThr(1)-D-aIle-D-Val-Phe-Abu(2,3-dehydro)-Val-(1)

C75H124N14O16 (1476.9319)


   

2-(3-methylthio)propylmalate

2-(3-Methylthio)propylmalic acid

C8H14O5S (222.0562)


   

7α,12α-dihydroxycholest-4-en-3-one

7α,12α-Dihydroxycholest-4-en-3-one

C27H44O3 (416.329)


   

Tricosane

CH3-[CH2]21-CH3

C23H48 (324.3756)


N-tricosane, also known as ch3-[ch2]21-ch3, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, N-tricosane is considered to be a hydrocarbon lipid molecule. N-tricosane is an alkane and waxy tasting compound and can be found in a number of food items such as kohlrabi, papaya, coconut, and ginkgo nuts, which makes N-tricosane a potential biomarker for the consumption of these food products. N-tricosane can be found primarily in saliva. The term higher alkanes is sometimes used literally as "alkanes with a higher number of carbon atoms". One definition distinguishes the higher alkanes as the n-alkanes that are solid under natural conditions . Tricosane belongs to the class of organic compounds known as acyclic alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.

   

Multifloein B

Multifloein B

C27H30O15 (594.1585)


   

3,3-Diethyl-2,4-dioxopiperidine

3,3-Diethyl-2,4-dioxopiperidine

C9H15NO2 (169.1103)


R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent

   

Atractylodinol

(2E,8E)-9-(Furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol

C13H10O2 (198.0681)


   

Acetylatractylodinol

Acetylatractylodinol

C15H12O3 (240.0786)


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

   

Cysteinyldopa

5-S-Cysteinyl-DOPA

C12H16N2O6S (316.0729)


   

SF-2052

Formimidoyl-fortimicin A

C18H36N6O6 (432.2696)


   

(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).

   

D-Gulono-1,4-lactone

5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one

C6H10O6 (178.0477)


Acquisition and generation of the data is financially supported in part by CREST/JST. 1,4-D-Gulonolactone is an endogenous metabolite.

   

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.

   

Rubiadin

9,10-Anthracenedione, 1,3-dihydroxy-2-methyl-

C15H10O4 (254.0579)


Rubiadin is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 3 and a methyl group at position 2. It has been isolated from Rubia yunnanensis. It has a role as an antibacterial agent, an antioxidant, a hepatoprotective agent and a plant metabolite. Rubiadin is a natural product found in Coprosma tenuicaulis, Prismatomeris tetrandra, and other organisms with data available. A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 3 and a methyl group at position 2. It has been isolated from Rubia yunnanensis. Rubiadin is a dihydroxy anthraquinone isolated from Rubia cordifolia. Rubiadin has a potent antixidant activity[1]. Rubiadin is a dihydroxy anthraquinone isolated from Rubia cordifolia. Rubiadin has a potent antixidant activity[1].

   

Methaqualone

2-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one

C16H14N2O (250.1106)


Methaqualone, also known as optimil or ortonal, belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. Methaqualone is a drug which is used for the treatment of insomnia, and as a sedative and muscle relaxant. Methaqualone exists as a solid and is considered to be practically insoluble (in water) and relatively neutral. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

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.

   

(S)-2-Methylbutanal

(S)-alpha-Methylbutyric aldehyde

C5H10O (86.0732)


(S)-2-Methylbutanal is found in coffee and coffee products. (S)-2-Methylbutanal is found in tea, coffee, peppermint oil (Mentha piperita

   

(±)-2-Hydroxy-2-phenylacetonitrile

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

C8H7NO (133.0528)


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

   

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.

   

L-Homocystine

2-Amino-4-{[(3S)-3-amino-3-carboxypropyl]disulphanyl}butanoic acid

C8H16N2O4S2 (268.0551)


Homocystine is the oxidized form of homocysteine. Homocystine is a dipeptide consisting of two homocysteine molecules joined by a disulfide bond. Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Homocystine occurs only transiently before being reduced to homocysteine and converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Homocystine and homocysteine-cysteine mixed disulfides account for >98\\\% of total homocysteine in plasma from healthy individuals (PMID 11592966). Homocystine has been shown to stereospecifically induce endothelial nitric oxide synthase-dependent lipid peroxidation in endothelial cells, thereby inducing a vascular cell type-specific oxidative stress. This vascular stress is associated with atherothrombotic cardiovascular disease (PMID: 14980706). High levels of homocysteine (and homocysteine) can be found in individuals suffering from homocystinura due to cystathionine synthase deficiency (PMID: 4685596) Homocystine is the double-bonded form of homocysteine, but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.

   

Kahalalide F

N-{1-[(1-{[1-({1-[2-({4-amino-1-[(1-{[9-benzyl-15-(butan-2-yl)-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-bis(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-2-methylbutyl)carbamoyl]butyl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamoyl)-2-methylpropyl]carbamoyl}-2-hydroxypropyl)carbamoyl]-2-methylpropyl}-5-methylhexanamide

C75H124N14O16 (1476.9319)


   

1,2-Dichloroethylene

1,2-Dichloroethylene, (e)-isomer

C2H2Cl2 (95.9534)


   

Epitetracycline

4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidate

C22H24N2O8 (444.1533)


Sanclomycine, also known as achromycin or 4 epitetracycline, belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. Based on a literature review very few articles have been published on Sanclomycine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Epitetracycline is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Epitetracycline is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents Epitetracycline hydrochloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=23313-80-6 (retrieved 2024-10-30) (CAS RN: 23313-80-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

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

   

Octadeca-6,9,12,15-tetraenoic acid

octadeca-6,9,12,15-tetraenoic acid

C18H28O2 (276.2089)


Octadeca-6,9,12,15-tetraenoic acid, also known as 6,9,12,15-octadecatetraenoic 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. Octadeca-6,9,12,15-tetraenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Octadeca-6,9,12,15-tetraenoic acid can be found in borage, which makes octadeca-6,9,12,15-tetraenoic acid a potential biomarker for the consumption of this food product.

   

Durabolin

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

C27H34O3 (406.2508)


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

   

BENZOYLARGININE NITROANILIDE

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

C19H22N6O4 (398.1702)


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

   

Propenylguaiacol

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

C10H12O2 (164.0837)


   

Ppack

N-[1-Chloro-2-oxo-6-[(aminoiminomethyl)amino]hexane-3-yl]-1-(1-oxo-2-amino-3-phenylpropyl)pyrrolidine-2-carboxamide

C21H31ClN6O3 (450.2146)


   

Dactimicin

N-(4-amino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2,5-dihydroxy-6-methoxycyclohexyl)-2-methanimidamido-N-methylacetamide

C18H36N6O6 (432.2696)


   

DL-Ethionine

2-Amino-4-(ethylsulphanyl)butanoic acid

C6H13NO2S (163.0667)


   

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

   

Histidinyl-Leucine

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

C12H20N4O3 (268.1535)


   

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

   

Hex-3-en-1-al

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

C6H12O (100.0888)


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

   

tetrahydrofolate

(2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

C19H23N7O6 (445.171)


Tetrahydrofolic acid, also known as (6s)-tetrahydrofolate or (6s)-thfa, belongs to glutamic acid and derivatives class of compounds. Those are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Tetrahydrofolic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Tetrahydrofolic acid can be found in a number of food items such as malabar plum, parsnip, white lupine, and alpine sweetvetch, which makes tetrahydrofolic acid a potential biomarker for the consumption of these food products. Tetrahydrofolic acid may be a unique S.cerevisiae (yeast) metabolite. Tetrahydrofolic acid is a drug which is used for nutritional supplementation, also for treating dietary shortage or imbalance. Tetrahydrofolate is transported across cells by receptor-mediated endocytosis where it is needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids, methylate tRNA, and generate and use formate (DrugBank). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Gomisin

[(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate

C30H32O9 (536.2046)


Schisantherin A is a tannin. Schisantherin A is a natural product found in Kadsura heteroclita, Schisandra henryi, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation.

   

N-ACETYLANTHRANILIC ACID

N-Acetyl-anthranilic acid

C9H9NO3 (179.0582)


   

(S)-3-Hydroxy-N-methylcoclaurine

(S)-3-Hydroxy-N-methylcoclaurine

C18H21NO4 (315.1471)


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

   

6-Hydroxytremetone

6-Hydroxytremetone

C13H14O3 (218.0943)


   

Apiin

7-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C26H28O14 (564.1479)


Apiin is a beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4-dihydroxyflavon-7-yl moiety at the anomeric position. It has a role as an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and a plant metabolite. It is a beta-D-glucoside, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to an apigenin. It is a conjugate acid of an apiin(1-). Apiin is a natural product found in Crotalaria micans, Limonium axillare, and other organisms with data available. See also: Chamomile (part of); Chamaemelum nobile flower (part of). A beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4-dihydroxyflavon-7-yl moiety at the anomeric position. Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1]. Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1].

   

Texasin

6,7-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone

C16H12O5 (284.0685)


   

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.

   

Mesaconic acid

2-methyl-2E-butenedioic acid

C5H6O4 (130.0266)


A dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position. D003879 - Dermatologic Agents

   

DL-Cycloserine

4-Aminoisoxazolidin-3-one

C3H6N2O2 (102.0429)


   

Harmolol

Harmolol

C12H12N2O (200.095)


A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.398 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.395 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.387 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.386

   

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.

   

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

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

C21H32O4 (348.23)


11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is an intermediate in C21-Steroid hormone metabolism. 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is the 3rd to last step in the synthesis of 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one and is converted from Corticosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC 1.3.99.6). It is then converted to Tetrahydrocorticosterone via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50). [HMDB] 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is an intermediate in C21-Steroid hormone metabolism. 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is the 3rd to last step in the synthesis of 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one and is converted from Corticosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC 1.3.99.6). It is then converted to Tetrahydrocorticosterone via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50).

   

Gibberellin A19

Gibberellin A19

C20H26O6 (362.1729)


D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins A C20-gibberellin.

   

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

   

NCI60_026742

4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-

C22H24O9 (432.142)


2-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one is a methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3, 4 and 5. It has a role as a plant metabolite. It is functionally related to a flavone. 5,6,7,8,3,4,5-Heptamethoxyflavone is a natural product found in Conoclinium coelestinum, Citrus medica, and other organisms with data available.

   

2'-Hydroxygenistein

3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI

C15H10O6 (286.0477)


2-hydroxygenistein is a hydroxyisoflavone that is genistein substituted by an additional hydroxy group at position 2. It has been isolated from Crotalaria lachnophora. It has a role as a plant metabolite. It is functionally related to a genistein. It is a conjugate acid of a 2-hydroxygenistein(1-). 2-Hydroxygenistein is a natural product found in Crotalaria lachnophora, Vigna radiata, and other organisms with data available. Isolated from Cajanus cajan (pigeon pea), Dolichos biflorus (papadi), Lablab niger (hyacinth bean), Phaseolus vulgaris (kidney bean) and Phaseolus coccineus (scarlet runner bean). 2-Hydroxygenistein is found in many foods, some of which are pulses, walnut, saskatoon berry, and garden tomato (variety). 2-Hydroxygenistein is found in adzuki bean. 2-Hydroxygenistein is isolated from Cajanus cajan (pigeon pea), Dolichos biflorus (papadi), Lablab niger (hyacinth bean), Phaseolus vulgaris (kidney bean) and Phaseolus coccineus (scarlet runner bean). A hydroxyisoflavone that is genistein substituted by an additional hydroxy group at position 2. It has been isolated from Crotalaria lachnophora.

   

pisatin

(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol

C17H14O6 (314.079)


A member of the class of pterocarpans that is the 3-O-methyl ether of (+)-6a-hydroxymaackiain (the 6aR,12aR stereoisomer). A phytoalexin found in pods of garden peas (Pisum sativum) and other plants of the pea family, including Tephrosia candida. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-6a(12aH)-ol, 3-methoxy-, (6aS-cis)- is a natural product found in Millettia pachyloba with data available.

   

Euxanthone

Xanthen-9-one, 1,7-dihydroxy- ; 1,7-Dihydroxy-9H-xanthen-9-one; 1,7-Dihydroxyxanthone; DX 1

C13H8O4 (228.0423)


Euxanthone is a member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. It has a role as a plant metabolite and a metabolite. It is a member of xanthones and a member of phenols. Euxanthone is a natural product found in Garcinia oblongifolia, Hypericum scabrum, and other organisms with data available. A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. Occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango). Euxanthone is found in fruits and mammee apple. Euxanthone is found in fruits. Euxanthone occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango

   

guaiacyl propanol

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

C10H14O3 (182.0943)


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

   

Acetylsulfamethoxazole

N4-Acetyl-Sulfamethoxazole

C12H13N3O4S (295.0627)


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

   

Atraton

Atraton

C9H17N5O (211.1433)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 157

   

Imazamox

Imazamox

C15H19N3O4 (305.1375)


2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid is a pyridinemonocarboxylic acid that is nicotinic acid which is substituted substituted at position 5 by a methoxymethyl group and at position 2 by a 4,5-dihydro-1H-imidazol-2-yl group, that in turn is substituted by isopropyl, methyl, and oxo groups at positions 4, 4, and 5, respectively. It is a pyridinemonocarboxylic acid, an ether, an imidazolone and a member of imidazolines. Imazamox is a member of the imidazolinone class of herbicides. It is registered for post-emergence control of broadleaf weeds and grass in alfalfa, edible legumes and soybeans. It is a systemic herbicide that moves throughout the plant tissue and prevents plants from producing an essential enzyme, acetolactate synthase (ALS), which is not found in animals. This enzyme is key for the biosynthesis of branched chain amino acids. Susceptible plants will stop growing soon after treatment, but plant death and decomposition will occur over several weeks.

   

Thioinosinic acid

Thioinosinic acid

C10H13N4O7PS (364.0243)


[Raw Data] CB244_Thioinosinic-acid_pos_50eV_CB000084.txt [Raw Data] CB244_Thioinosinic-acid_pos_40eV_CB000084.txt [Raw Data] CB244_Thioinosinic-acid_pos_30eV_CB000084.txt [Raw Data] CB244_Thioinosinic-acid_pos_20eV_CB000084.txt [Raw Data] CB244_Thioinosinic-acid_pos_10eV_CB000084.txt

   

gamma-Glutamylglutamine

gamma-Glutamylglutamine

C10H17N3O6 (275.1117)


H-γ-Glu-Gln-OH is a hydrophilic peptide and can be conjugated to drugs. The carrier composed of H-γ-Glu-Gln-OH has the characteristics of high water solubility and drug-loading capacity, good biocompatibility, low toxicity, improved tumor targeting ability, and anti-tumor efficacy[1].

   

L-Homocystine

4,4-Dithiobis[2-aminobutyric Acid]

C8H16N2O4S2 (268.0551)


A homocystine in which both chiral centres have L configuration. 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.

   

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.

   

Cysteineglutathione disulfide

L-CYSTEINE-GLUTATHIONE DISULFIDE

C13H22N4O8S2 (426.0879)


   

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.

   

Desaminotyrosine

3-(4-Hydroxyphenyl)propionic acid

C9H10O3 (166.063)


Desaminotyrosine is a microbially associated metabolite protecting from influenza through augmentation of type I interferon signaling. Desaminotyrosine is a microbially associated metabolite protecting from influenza through augmentation of type I interferon signaling.

   

16-Glucuronide-estriol

Estriol-16beta-D-glucopyranosiduronic acid

C24H32O9 (464.2046)


A steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

N-Methylanthranilic acid

N-Methylanthranilic acid

C8H9NO2 (151.0633)


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

   

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

   

4-nitrocatechol

4-nitrocatechol

C6H5NO4 (155.0219)


A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol. 4-Nitrocatechol is a potent lipoxygenase inhibitor[1]. 4-Nitrocatechol is a potent lipoxygenase inhibitor[1].

   

Benzylsuccinic acid

2-benzylbutanedioic acid

C11H12O4 (208.0736)


   

2-Deoxyuridine 5-monophosphate

2-Deoxyuridine 5-monophosphate

C9H13N2O8P (308.041)


   

N-Acetylhistamine

N-[2-(1H-imidazol-5-yl)ethyl]acetamide

C7H11N3O (153.0902)


A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function. N-Acetylhistamine is a histamine metabolite. N-acetylhistamine can be used as a potential biomarker of histidine metabolism for anaphylactoid reactions. N-Acetylhistamine is a histamine metabolite. N-acetylhistamine can be used as a potential biomarker of histidine metabolism for anaphylactoid reactions.

   

Rubiadin

9,10-Anthracenedione, 1,3-dihydroxy-2-methyl-

C15H10O4 (254.0579)


Rubiadin is a dihydroxy anthraquinone isolated from Rubia cordifolia. Rubiadin has a potent antixidant activity[1]. Rubiadin is a dihydroxy anthraquinone isolated from Rubia cordifolia. Rubiadin has a potent antixidant activity[1].

   

2,6-Dimethoxyquinone

2,6-Dimethoxy-1,4-benzoquinone

C8H8O4 (168.0423)


2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1]. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1].

   

3-Ketocholanic acid

3-Ketocholanic acid

C24H38O3 (374.2821)


CONFIDENCE standard compound; INTERNAL_ID 76

   

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, ]

   

THIOACETIC ACID

THIOACETIC ACID

C2H4OS (75.9983)


   

3-Methyloxindole

3-Methyl-2-oxindole

C9H9NO (147.0684)


   

2-Hydroxyphytanic acid

2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid

C20H40O3 (328.2977)


An alpha-hydroxy fatty acid formed from phytanic acid by bacterial cytochrome P450; and also formed in human peroxisomal disorders.

   

ent-Kaurenal

ent-kaur-16-en-19-al

C20H30O (286.2297)


   

3-hexenal

3-Hexenal (trans\cis mix)

C6H10O (98.0732)


D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D010575 - Pesticides > D007306 - Insecticides The cis-isomer of 3-hexenal. D016573 - Agrochemicals

   

4-Aminophenylalanine

L-2-Amino-3-(4-aminophenyl)propanoic acid

C9H12N2O2 (180.0899)


   

FA 8:0;O

2-N-Propyl-3-hydroxypentanoic acid

C8H16O3 (160.1099)


   

2-Amino-9,10-epoxy-8-oxodecanoic acid

2-amino-8-oxo-9,10-epoxy-decanoic acid

C10H17NO4 (215.1158)


   

20-hydroxy-LTE4

5S,20-dihydroxy-6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid

C23H37NO6S (455.2341)


   

20-Hydroxy-leukotriene E4

(5S,6R,7E,9E,11Z,14Z)-6-[(2-amino-2-carboxyethyl)sulfanyl]-5,20-dihydroxyicosa-7,9,11,14-tetraenoic acid

C23H37NO6S (455.2341)


   

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 6:1;O

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

C27H44N7O18P3S (879.1676)


   

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.

   

TRICOSANE

TRICOSANE

C23H48 (324.3756)


A straight chain alkane containing 23 carbon atoms.

   

(+)-cis-sabinol

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

C10H16O (152.1201)


   

(+)-sabinone

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

C10H14O (150.1045)


   

Gibberellin A53

Gibberellin A53

C20H28O5 (348.1937)


A C20-gibberellin, initially identified in Vicia faba, that is gibberellin A12 in which a hydroxy substituent is present at the 7alpha- position.

   

Gibberellin A44

Gibberellin A44

C20H26O5 (346.178)


A C20-gibberellin with a heteropentacyclic skeleton that incorporates a lactone moiety.

   

Lutein 5,6-epoxide

Lutein 5,6-epoxide

C40H56O3 (584.4229)


An epoxycarotenol derivative of lutein.

   

(-)-Glycinol

3,6a,9-Trihydroxypterocarpan

C15H12O5 (272.0685)


   

4-Amino-L-phenylalanine

2-amino-3-(4-aminophenyl)propanoic acid

C9H12N2O2 (180.0899)


   

(S)-3-hydroxytridecan-4-one

(S)-3-hydroxytridecan-4-one

C13H26O2 (214.1933)


   

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

   

Liquorice

Liquorice

C42H62O16 (822.4038)


   

D-Galactonic acid, gamma-lactone

D-Galactonic acid, gamma-lactone

C6H10O6 (178.0477)


   

Quinupristin

N-[(3S,6S,12R,15S,16R,19S)-25-[[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide

C53H67N9O10S (1021.4731)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D025361 - Streptogramins C254 - Anti-Infective Agent > C258 - Antibiotic Quinupristin is a streptogramin antibiotic. Quinupristin blocks peptide bond synthesis to prevent the extension of polypeptide chains and promote the detachment of incomplete protein chains in the bacterial ribosomal subunits[1] [2].

   

2,4-Dichlorophenoxybutyric acid

4-(2,4-Dichlorophenoxy)butanoic acid

C10H10Cl2O3 (248.0007)


   

γ-Fagarine

gamma-Fagarine

C13H11NO3 (229.0739)


   

Hydrocortisone probutate

Hydrocortisone probutate

C28H40O7 (488.2774)


D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents

   

2-NITROBENZOIC ACID

2-NITROBENZOIC ACID

C7H5NO4 (167.0219)


   

AI3-35917

EINECS 211-347-4

C23H48 (324.3756)


   

CHEBI:18450

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

C8H7NO (133.0528)


   

Dodecanal

InChI=1\C12H24O\c1-2-3-4-5-6-7-8-9-10-11-12-13\h12H,2-11H2,1H

C12H24O (184.1827)


   

Glucofrangulin

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

C21H20O10 (432.1056)


Emodin-8-glucoside is an anthraquinone derivative isolated from Aloe vera, binds to minor groove of DNA[1]. Emodin-8-glucoside is an anthraquinone derivative isolated from Aloe vera, binds to minor groove of DNA[1].

   

Fagarine

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

C13H11NO3 (229.0739)


   

AI3-01977

4-02-00-00987 (Beilstein Handbook Reference)

C10H20O2 (172.1463)


   

tridecanol

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

C13H28O (200.214)


   

530-55-2

2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-, radical ion(1-)

C8H8O4 (168.0423)


2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1]. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1].

   

AI3-05924

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

C8H9NO2 (151.0633)


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

   

multiflorin

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

C27H30O15 (594.1585)


   

Mesaconate

4-02-00-02231 (Beilstein Handbook Reference)

C5H6O4 (130.0266)


D003879 - Dermatologic Agents

   

AI3-15739

Butyl acrylates, inhibited [UN2348] [Flammable liquid]

C7H12O2 (128.0837)


   

CH3COSH

Thioacetic acid [UN2436] [Flammable liquid]

C2H4OS (75.9983)


   

Xylobiose

(3R,4R,5R)-5-(((2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol

C10H18O9 (282.0951)


Xylobiose is a glycosylxylose that is D-xylopyranose having a beta-D-xylopyranosyl residue attached at position 4 via a glycosidic bond. It has a role as a bacterial metabolite. Xylobiose is a natural product found in Streptomyces ipomoeae, Chlamydomonas reinhardtii, and Streptomyces rameus with data available. A glycosylxylose that is D-xylopyranose having a beta-D-xylopyranosyl residue attached at position 4 via a glycosidic bond. Major or sole repeating unit in the main xylan chains of the plant xylans, arabinoxylans and glucuronoxylans. Isolated from Scotch pine (Pinus sylvestris). Xylobiose (1,4-β-D-Xylobiose; 1,4-D-Xylobiose) is a disaccharide?of?xylose?monomers with a β-1, 4 bond between monomers[1].

   

Uroporphyrinogen III

Uroporphyrinogen III

C40H44N4O16 (836.2752)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Uroporphyrinogen iii, also known as urogen iii, is a member of the class of compounds known as porphyrins. Porphyrins are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. Uroporphyrinogen iii is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Uroporphyrinogen iii can be found in a number of food items such as pili nut, rubus (blackberry, raspberry), sunflower, and pecan nut, which makes uroporphyrinogen iii a potential biomarker for the consumption of these food products. Uroporphyrinogen iii can be found primarily in blood. Uroporphyrinogen iii exists in all living species, ranging from bacteria to humans. In humans, uroporphyrinogen iii is involved in the porphyrin metabolism. Uroporphyrinogen iii is also involved in few metabolic disorders, which include acute intermittent porphyria, congenital erythropoietic porphyria (CEP) or gunther disease, hereditary coproporphyria (HCP), and porphyria variegata (PV).

   

3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one

3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one

C21H34O3 (334.2508)


   

N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide

N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide

C50H62N12O12S2 (1086.4051)


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

   

Decaline

Decaline

C26H31NO5 (437.2202)


   

(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)


   

Digalacturonic acid

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

C12H18O13 (370.0747)


   

NP-003686

[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072)


1,2,3,6-tetrakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose. 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose is a natural product found in Castanea crenata, Quercus aliena, and other organisms with data available. See also: Paeonia lactiflora root (part of). 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1]. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1].

   

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

   

CYCLOPENTANOL

CYCLOPENTANOL

C5H10O (86.0732)


   

Tetraethyl pyrophosphate

Tetraethyl pyrophosphate

C8H20O7P2 (290.0684)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

   

1-Propanethiol

1-Propanethiol

C3H8S (76.0347)


   

2-Methylbutanal

2-Methylbutyraldehyde

C5H10O (86.0732)


A methylbutanal in which the methyl substituent is at position 2.

   

CYCLOATE

CYCLOATE

C11H21NOS (215.1344)


   

Ethinamate

Ethinamate

C9H13NO2 (167.0946)


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

   

MEPHENTERMINE

MEPHENTERMINE

C11H17N (163.1361)


C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

   

1,2-dichloroethylene

trans-1,2-Dichloroethylene

C2H2Cl2 (95.9534)


   

1,2,4-trichlorobenzene

1,2,4-trichlorobenzene-ul-14c

C6H3Cl3 (179.93)


   

Carbosulfan

Carbosulfan

C20H32N2O3S (380.2134)


C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

   

propiomazine

propiomazine

C20H24N2OS (340.1609)


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

   

Nandrolone phenpropionate

Nandrolone phenylpropionate

C27H34O3 (406.2508)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone

   

Acetone oxime

Propan-2-one oxime

C3H7NO (73.0528)


   

NITROETHANE

NITROETHANE

C2H5NO2 (75.032)


   

1,5-Diaminonaphthalene

1,5-Diaminonaphthalene

C10H10N2 (158.0844)


   

Triamcinolone diacetate

Triamcinolone diacetate

C25H31FO8 (478.2003)


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

   

phthalylsulfathiazole

phthalylsulfathiazole

C17H13N3O5S2 (403.0297)


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

   

M-toluic Acid

3-Methylbenzoic acid

C8H8O2 (136.0524)


A methylbenzoic acid carrying a methyl substituent at position 3.

   

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

   

2-Hydroxyatrazine

atrazine-2-hydroxy

C8H15N5O (197.1277)


   

(R)-Mandelonitrile

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

C8H7NO (133.0528)


   

Isovaleryl-CoA

Isovaleryl-CoA

C26H44N7O17P3S (851.1727)


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

   

2-Butynedioic acid

Acetylenedicarboxylic acid

C4H2O4 (113.9953)


   

3-Hydroxypropanal

3-Hydroxypropanal

C3H6O2 (74.0368)


Reuterin is a broad-spectrum antimicrobial agent active against Gram positive and Gram negative bacteria, as well as yeasts, moulds and protozoa. Reuterin is produced by specific strains of Lactobacillus reuteri during anaerobic metabolism of glycerol. Reuterin also demonstrates potent antimicrobial activity against a broad panel of human and poultry meat campylobacter spp. Isolates[1][2].

   

Phosphoramide mustard

Phosphoramide mustard

C4H11Cl2N2O2P (219.9935)


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

   

3-Uridylic acid

3-Uridylic acid

C9H13N2O9P (324.0359)


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

   

(6S)-5,6,7,8-Tetrahydrofolate

(6S)-5,6,7,8-Tetrahydrofolate

C19H23N7O6 (445.171)


   

(METHYLTHIO)ACETICACID

(Methylthio)acetic acid

C3H6O2S (106.0088)


A sulfur-containing carboxylic consisting of thioglycolic acid carrying an S-methyl substituent.

   

5-Hydroxyvaleric Acid

5-HYDROXYPENTANOIC ACID

C5H10O3 (118.063)


An omega-hydroxy fatty acid consisting of pentanoic acid carrying a hydroxy group at C-5.

   

Boc-Leu-OH.H2O

N-(tert-Butoxycarbonyl)-L-leucine

C11H21NO4 (231.1471)


   

e-64

e-64

C15H27N5O5 (357.2012)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents

   

Isochorismic acid

Isochorismic acid

C10H10O6 (226.0477)


   

Uridine 2-phosphate

Uridine 2-phosphate

C9H13N2O9P (324.0359)


   

2-Deoxyinosine 5-monophosphate

2-Deoxyinosine 5-monophosphate

C10H13N4O7P (332.0522)


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

   

3-Oxohexanoyl-CoA

3-Oxohexanoyl-CoA

C27H44N7O18P3S (879.1676)


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

   

3-methylbut-2-enoyl-CoA

3-methylbut-2-enoyl-CoA

C26H42N7O17P3S (849.1571)


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-methylbut-2-enoic acid.

   

D-Mannitol 1-phosphate

D-Mannitol 1-phosphate

C6H15O9P (262.0454)


An alditol 1-phosphate that is the 1-O-phospho derivative of mannitol with D-configuration.

   

(2S)-2-Amino-4-oxobutanoic acid

(2S)-2-Amino-4-oxobutanoic acid

C4H7NO3 (117.0426)


   

3-hydroxy-2-methylpropanoyl-CoA

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)


   

Ethyl L-tyrosinate

L-Tyrosine ethyl ester

C11H15NO3 (209.1052)


   

L-Dopachrome

L-Dopachrome

C9H7NO4 (193.0375)


The L-enantiomer of dopachrome.

   

(2S)-3-hydroxypropane-1,2-diyl didecanoate

(2S)-3-hydroxypropane-1,2-diyl didecanoate

C23H44O5 (400.3189)


   

gamma-Glutamyl phosphate

gamma-Glutamyl phosphate

C5H10NO7P (227.0195)


   

2-aceto-2-hydroxybutanoate

2-aceto-2-hydroxybutanoate

C6H10O4 (146.0579)


   

D-Glucono-1,5-lactone 6-phosphate

D-Glucono-1,5-lactone 6-phosphate

C6H11O9P (258.0141)


   

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.

   

3-Ketovaleric acid

3-Oxopentanoic acid

C5H8O3 (116.0473)


   

Histidylleucine

Histidylleucine

C12H20N4O3 (268.1535)


   

O-Acetyl-L-homoserine

O-Acetyl-L-homoserine

C6H11NO4 (161.0688)


The O-acetyl derivative of L-homoserine.

   

Uralsaponin A

Uralsaponin A

C42H62O16 (822.4038)


Glycyrrhizic acid is a triterpenoid saponinl, acting as a direct HMGB1 antagonist, with anti-tumor, anti-diabetic activities. Glycyrrhizic acid is a triterpenoid saponinl, acting as a direct HMGB1 antagonist, with anti-tumor, anti-diabetic activities.

   

19-Oxotestosterone

19-Oxotestosterone

C19H26O3 (302.1882)


   

(R)-Norreticuline

(R)-Norreticuline

C18H21NO4 (315.1471)


   

(+)-N-Methylpseudoephedrine

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

C11H17NO (179.131)


   

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

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

C17H26N3O15P (543.1101)


   

lipid A-disaccharide-1-phosphate

lipid A-disaccharide-1-phosphate

C68H129N2O20P (1324.8876)


   

MDK-4025

(2-Chlorophenyl)diphenylmethanol

C19H15ClO (294.0811)


   

Pollinastanol

Pollinastanol

C28H48O (400.3705)


   

Thiourocanic acid

Thiourocanic acid

C6H6N2O2S (170.015)


   

4-Methyl-3-hydroxyanthranilic acid

4-Methyl-3-hydroxyanthranilic acid

C8H9NO3 (167.0582)


An aminobenzoic acid that is anthranilic acid substituted by a hydroxy group at position 3 and a methyl group at position 4.

   

2-Methylpropanal O-methyloxime

2-Methylpropanal O-methyloxime

C5H11NO (101.0841)


   

2-(3-methylthiopropyl)malic acid

2-(3-methylthiopropyl)malic acid

C8H14O5S (222.0562)


   

N-(Carboxymethyl)-D-alanine

N-(Carboxymethyl)-D-alanine

C5H9NO4 (147.0532)


   

CID 441725

CID 441725

C24H39NO7 (453.2726)


   

Anthorine

Anthorine

C22H33NO2 (343.2511)


   

L-Cladinose

L-Cladinose

C8H16O4 (176.1049)


   

Formimidoyl-fortimicin A

Formimidoyl-fortimicin A

C18H36N6O6 (432.2696)


   

D-Phe-Pro-Arg-CH2Cl

D-Phe-Pro-Arg-CH2Cl

C21H31ClN6O3 (450.2146)


   

S-(PGA1)-glutathione

S-(PGA1)-glutathione

C30H49N3O10S (643.3138)


   

Thallous chloride

thallium(i) chloride

ClTl (239.9433)


   

Pentyl nitrite

Pentyl nitrite

C5H11NO2 (117.079)


V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

ST 28:5;O7

11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate

C28H40O7 (488.2774)


D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents Same as: D01886

   

O-Nitrobenzoate

2-NITROBENZOIC ACID

C7H5NO4 (167.0219)


   

2,4-xylenol

1-Hydroxy-2,4-dimethylbenzene

C8H10O (122.0732)


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

   

Sulfoacetate

SULFOACETIC ACID

C2H4O5S (139.9779)


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

   

2,4-Dinitrophenylhydrazine

2,4-Dinitrophenylhydrazine

C6H6N4O4 (198.0389)


   

alpha1-Sitosterol

alpha1-Sitosterol

C30H50O (426.3861)


   

Benzo[a]pyrene-4,5-oxide

Benzo[a]pyrene-4,5-epoxide

C20H12O (268.0888)


D009676 - Noxae > D002273 - Carcinogens

   

DL-NORVALINE

DL-NORVALINE

C5H11NO2 (117.079)


DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase. DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase.

   

DL-ETHIONINE

DL-ETHIONINE

C6H13NO2S (163.0667)


   

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)


   

3-Hexaprenyl-4-hydroxybenzoate

3-Hexaprenyl-4-hydroxybenzoic acid

C37H54O3 (546.4073)


   

3,4-Dehydrolycopene

all-trans-3,4-didehydrolycopene

C40H54 (534.4225)


   

TCE epoxide

Trichloroethylene epoxide

C2HCl3O (145.9093)


   

Apiitol

Apiitol

C5H12O5 (152.0685)


   

BUTYL ACRYLATE

Butyl acrylate resin

C7H12O2 (128.0837)


   

Fenoprop

Fenoprop

C9H7Cl3O3 (267.9461)


   

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.

   

DIDECYL PHTHALATE

Didecyl 1,2-benzenedicarboxylate

C28H46O4 (446.3396)


   

2-Naphthaldehyde

2-Naphthalenecarboxaldehyde

C11H8O (156.0575)


A naphthaldehyde that is naphthalene substituted by a formyl group at position 2.

   

Nirvanol

2,4-Imidazolidinedione,5-ethyl-5-phenyl-

C11H12N2O2 (204.0899)


D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

9-Hydroxybenzo[a]pyrene

9-Hydroxybenzo[a]pyrene

C20H12O (268.0888)


   

(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)


   

11H-14,15-EETA

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

C20H32O4 (336.23)


   

2,4-Diphenyl-1-butene

3-phenylbut-3-enylbenzene

C16H16 (208.1252)


   

2,4,6-Triphenyl-1-hexene

1,5-diphenylhex-5-en-3-ylbenzene

C24H24 (312.1878)


   

N-Acetylphenylalanine beta-naphthyl ester

N-Acetyl-DL-phenylalanine beta-naphthyl ester

C21H19NO3 (333.1365)


   

alpha-Methyl-m-tyrosine

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

C10H13NO3 (195.0895)


   

Uroxanthin

Uroxanthin

C14H17NO6 (295.1056)


   

alpha-Hydroxy-N-desmethyltamoxifen

alpha-Hydroxy-N-desmethyltamoxifen

C25H27NO2 (373.2042)


   

2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

C6H12O5 (164.0685)


   

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

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

C23H32O6 (404.2199)


   

Laminine

Laminine

C9H20N2O2 (188.1525)


   

MOLINATE

MOLINATE

C9H17NOS (187.1031)


D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D009676 - Noxae > D000988 - Antispermatogenic Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

DIISOPROPYL PHTHALATE

DIISOPROPYL PHTHALATE

C14H18O4 (250.1205)


   

Queen substance

Queen substance

C10H16O3 (184.1099)


   

Cercosporin from Cercospora hayii

Cercosporin from Cercospora hayii

C29H26O10 (534.1526)