Metabolites
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Retinol, Agonist of Testicular receptor 4Cas#: 68-26-8 Compound CID: 445354Formula: C20H30O Molecular Weight: 286.45IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-olSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)CInChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-NInChI: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+Synonyms: Chocola A | Vitamin A (Natural) | Vitamin A1, all-trans- | Vitpex | 2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-t...
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1-Stearoyl-2-arachidonoyl-sn-glycerol, Activator of TRPC6Cas#: 65914-84-3 Compound CID: 6438587Formula: C41H72O5 Molecular Weight: 645.01IUPAC Name: [(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoateSMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CCC=CCC=CCCCCCInChIKey: NSXLMTYRMFVYNT-IUJDHQGTSA-NInChI: InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,24-22-,30-28-/t39-/m0/s1Synonyms: DG(18:0/20:4(omega-6)/0:0) | DG(18:0/20:4omega6) | (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icos...
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L-HomocysteineCas#: 6027-13-0 Compound CID: 91552Formula: HSCH2CH2CH(NH2)COOH Molecular Weight: 135.18IUPAC Name: (2S)-2-amino-4-sulfanylbutanoic acidSMILES: C(CS)C(C(=O)O)NInChIKey: FFFHZYDWPBMWHY-VKHMYHEASA-NInChI: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1Synonyms: Boronic acid, 1H-indol-4-yl- | DTXSID3041039 | AKOS006272166 | H-2800 | MFCD00151320 | 2-amino-4-sulfanylbutanoate | ...
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LanosterolCas#: 79-63-0 Compound CID: 246983Formula: C30H50O Molecular Weight: 426.717IUPAC Name: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)CInChIKey: CAHGCLMLTWQZNJ-BQNIITSRSA-NInChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1Synonyms: AKOS024307002 | 3beta-Hydroxy-8,24-lanostadiene | C4CA2F34-1C1A-4673-AC43-E547708CB228 | LANOSTEROL [INCI] | Lanster ...
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Prostaglandin J2, Agonist of DP 1 receptor;Agonist of DP 2 receptorCas#: 60203-57-8 Compound CID: 5280884Formula: C20H30O4 Molecular Weight: 334.45IUPAC Name: (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C(C=CC1=O)CC=CCCCC(=O)O)OInChIKey: UQOQENZZLBSFKO-POPPZSFYSA-NInChI: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1Synonyms: BDBM50594729 | C05957 | BML1-G07 | PGJ2 (Prostaglandin J2) | Prostaglandin J2 Lipid Maps(R) MS Standard | SR-05000002...
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D-erythro-sphinganine, Activator of TRPM3Cas#: 764-22-7 Compound CID: 91486Formula: C18H39NO2 Molecular Weight: 301.51IUPAC Name: (2S,3R)-2-aminooctadecane-1,3-diolSMILES: CCCCCCCCCCCCCCCC(C(CO)N)OInChIKey: OTKJDMGTUTTYMP-ZWKOTPCHSA-NInChI: InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1Synonyms: Sphinganine (d18:0) | 1,3-Octadecanediol, 2-amino-, [R-(R*,S*)]- | AS-60774 | Bio1_001306 | CHEBI:16566 | SR-01000597...
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N-Oleoylethanolamine, Agonist of GPR119;Agonist of GPR55;Agonist of Peroxisome proliferator-activated receptor-αCas#: 111-58-0 Compound CID: 5283454Formula: C20H39NO2 Molecular Weight: 325.529IUPAC Name: (Z)-N-(2-hydroxyethyl)octadec-9-enamideSMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCOInChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-NInChI: InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-Synonyms: OEA | (Z)-N-(2-hydroxyethyl)octadec-9-enamide;Oleoylethanolamide | AKOS015839895 | BDBM29080 | N-Oleoyl-2-aminoethano...
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Lithocholic acidCas#: 434-13-9 Compound CID: 9903Formula: C24H40O3 Molecular Weight: 376.57IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)CInChIKey: SMEROWZSTRWXGI-HVATVPOCSA-NInChI: InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1Synonyms: NCGC00259417-01 | 3alpha-Hydroxy-5beta-cholanate | CCRIS 363 | 17-beta-(1-Methyl-3-carboxypropyl)ethiocholan-3-alpha-...
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4-Oxo-2-nonenal (4-ONE), Activator of TRPA1Cas#: 103560-62-9Formula: C9H14O2 Molecular Weight: 154.21IUPAC Name: (E)-4-oxonon-2-enalSMILES: CCCCCC(=O)C=CC=OInChIKey: SEPPVOUBHWNCAW-FNORWQNLSA-NInChI: InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+Synonyms: GTPL6283 | 3,5-dihydroxy-4-methylphenol | BDBM50318492 | 2-Nonenal, 4-oxo- | DTXSID701032845 | HY-114524 | 4-one | SE...
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1,2-Dioctanoyl-sn-glycerolCas#: 60514-48-9 Compound CID: 148879Formula: C19H36O5 Molecular Weight: 344.49IUPAC Name: [(2S)-3-hydroxy-2-octanoyloxypropyl] octanoateSMILES: CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCInChIKey: ZQBULZYTDGUSSK-KRWDZBQOSA-NInChI: InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1Synonyms: 1,2-dioctanoyl-sn-glycerol|60514-48-9|sn-1,2-Dioctanoylglycerol|Dicaprylglyceride|(S)-3-Hydroxypropane-1,2-diyl dioct...
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17α-HydroxypregnenoloneCas#: 387-79-1 Compound CID: 22796600Formula: C21H32O3 Molecular Weight: 332.48IUPAC Name: 1-[(8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanoneSMILES: CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OInChIKey: JERGUCIJOXJXHF-QUPIPBJSSA-NInChI: InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15?,16-,17+,18+,19+,20+,21+/m1/s1Synonyms: NSC 63853 | A-Hydroxypregnenolone | 1-((8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,...
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alpha-methyl-L-tyrosine, Tyrosine 3-hydroxylase inhibitorCas#: 672-87-7 Compound CID: 441350Formula: C10H13NO3 Molecular Weight: 195.22IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acidSMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)NInChIKey: NHTGHBARYWONDQ-JTQLQIEISA-NInChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1Synonyms: DTXCID203315 | Metirosina [INN-Spanish] | Metirosinum | Metyrosine [USAN] | MFCD00064201 | NCGC00094144-03 | s8033 | ...
