Metabolites
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1,2-Dioctanoyl-sn-glycerol, Activator of TRPC7Cas#: 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: KBioSS_000011 | Octanoic acid 1-hydroxymethyl-2-octanoyloxy-ethyl ester | GTPL2435 | sn-1,2-dicaprilin | Bio2_000011 ...
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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: KBioSS_000011 | Octanoic acid 1-hydroxymethyl-2-octanoyloxy-ethyl ester | GTPL2435 | sn-1,2-dicaprilin | Bio2_000011 ...
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Taurocholic Acid, Inhibitor of OATP1C1;Sodium/bile acid and sulphated solute cotransporter 2Cas#: 81-24-3 Compound CID: 6675Formula: C26H45NO7S Molecular Weight: 515.7IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acidSMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CInChIKey: WBWWGRHZICKQGZ-HZAMXZRMSA-NInChI: InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1Synonyms: Cholic acid taurine conjugate | N-Choloyltaurine | N-choloyl-taurine | Cholaic acid | 3alpha,7alpha,12alpha-Trihydrox...
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1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine, Agonist of PAF receptorCas#: 74389-68-7 Compound CID: 108156Formula: C26H54NO7P Molecular Weight: 523.68IUPAC Name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CInChIKey: HVAUUPRFYPCOCA-AREMUKBSSA-NInChI: InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1Synonyms: PAF C-16 | C16-02:0 PC
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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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12(S)-HETE, Agonist of BLT 2 receptor;Agonist of GPR31Cas#: 54397-83-0 Compound CID: 5283155Formula: C20H32O3 Molecular Weight: 320.47IUPAC Name: (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acidSMILES: CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OInChIKey: ZNHVWPKMFKADKW-LQWMCKPYSA-NInChI: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1Synonyms: (E,Z,Z,Z)-12-hydroxy-5,8,10,14-Eicosatetraenoate | GTPL3404 | HMS3402A21 | 12(S)-Hydroxyeicosatetraenoic acid | 5,8,1...
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Methylcarbamyl-PAF, Agonist of PAF receptorCas#: 91575-58-5 Compound CID: 124663Formula: C26H55N2O7P Molecular Weight: 538.7IUPAC Name: [(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NCInChIKey: FNFHZBKBDFRYHS-RUZDIDTESA-NInChI: InChI=1S/C26H55N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23-25(35-26(29)27-2)24-34-36(30,31)33-22-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)/t25-/m1/s1Synonyms: 1-O-Hexadecyl-2-O-(N-methylcarbamoyl)-sn-glyceryl-3-phosphorylcholine | Fourneau 190 | Q27085367 | NCGC00161384-02 | ...
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OAG, Activator of TRPC3;Activator of TRPC6;Activator of TRPC7Cas#: 84746-00-9 Compound CID: 5353264IUPAC Name: (2-acetyloxy-3-hydroxypropyl) (E)-octadec-9-enoateSMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)C)COInChIKey: PWTCCMJTPHCGMS-ZHACJKMWSA-NInChI: InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10+Synonyms: 1-oleoyl-2-acetyl-sn-glycerol
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2-O-methyl-PAF C-18, Agonist of PAF receptorCas#: 138852-22-9 Compound CID: 132181IUPAC Name: [2-acetyloxy-3-(2-methyloctadecoxy)propyl] 2-trimethylazaniumylethyl phosphateSMILES: CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])CInChIKey: CIVAIADZNGBFHP-UHFFFAOYSA-NInChI: InChI=1S/C29H60NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(2)24-34-25-29(37-28(3)31)26-36-38(32,33)35-23-22-30(4,5)6/h27,29H,7-26H2,1-6H3Synonyms: 1-O-(2-Methyloctadecyl)-2-O-acetyl-rac-glycero-3-phosphocholine | 2-(Acetyloxy)-3-[(2-methyloctadecyl)oxy]propyl 2-(t...
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2-O-ethyl-PAF C-16, Agonist of PAF receptorIUPAC Name: 2-[(2-ethoxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazaniumSMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)O)OCCInChIKey: LPHUUVMLQFHHQG-UHFFFAOYSA-OInChI: InChI=1S/C26H56NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-24-26(31-7-2)25-33-34(28,29)32-23-21-27(3,4)5/h26H,6-25H2,1-5H3/p+1
