Metabolites
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Retinoic acidCas#: 302-79-4 Compound CID: 444795Formula: C20H28O2 Molecular Weight: 300.44IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acidSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)CInChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-NInChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
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Spermine, Agonist of CaS receptor;Channel blocker of K ir2.1;Channel blocker of K ir2.3;Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ;Channel blocker of TRPM4;Channel blocker of TRPM5;Channel blocker ofCas#: 71-44-3 Compound CID: 1103Formula: C10H26N4 Molecular Weight: 202.34IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamineSMILES: C(CCNCCCN)CNCCCNInChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-NInChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
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Gallic acid, Inhibitor of carbonic anhydrase 1Cas#: 149-91-7 Compound CID: 370Formula: C7H6O5 Molecular Weight: 170.12IUPAC Name: 3,4,5-trihydroxybenzoic acidSMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OInChIKey: LNTHITQWFMADLM-UHFFFAOYSA-NInChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)Synonyms: NSC 674319 | gallate | HSDB 2117 | CCRIS 5523 | Gallic acid, tech. | Kyselina gallova | MFCD00002510 | CHEBI:30778 | ...
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N-Arachidonylglycine (NAGly), Agonist of GPR18;Agonist of LPA 5 receptorCas#: 179113-91-8 Compound CID: 5283389Formula: C22H35NO3 Molecular Weight: 361.52IUPAC Name: 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acidSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)OInChIKey: YLEARPUNMCCKMP-DOFZRALJSA-NInChI: InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-Synonyms: LP00074 | NAGly | NA-Gly | HMS1989I06 | N-((5Z,8Z,11Z,14Z)-1-Oxo-5,8,11,14-eicosatetraen-1-yl)glycine | N-arachidonoy...
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Retinoic acid, Retinoic acid receptor agonistCas#: 302-79-4 Compound CID: 444795Formula: C20H28O2 Molecular Weight: 300.44IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acidSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)CInChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-NInChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
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farnesyl diphosphate, Agonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptor;Activator of TRPV3Cas#: 13058-04-3 Compound CID: 11132720IUPAC Name: phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphateSMILES: C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/CInChIKey: VWFJDQUYCIWHTN-FBXUGWQNSA-NInChI: InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-
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farnesyl monophosphate, Antagonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptorIUPAC Name: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphateSMILES: C/C(=C/CC/C(=C\COP(=O)(O)O)/C)/CCC=C(C)CInChIKey: ALEWCKXBHSDCCT-FBXUGWQNSA-NInChI: InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-Synonyms: SCHEMBL2506806 | FFT | [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate | GTPL2911 | Farnesyl mon...
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hexamethonium, Channel blocker of nicotinic acetylcholine receptor α2 subunit;Channel blocker of nicotinic acetylcholine receptor α3 subunit;Channel blocker of nicotinic acetylcholine receptor α4 subunit;Channel blocker of nicotinic acetylcholine receptor α6 subunitCas#: 60-26-4 Compound CID: 3604IUPAC Name: trimethyl[6-(trimethylazaniumyl)hexyl]azaniumSMILES: C[N+](CCCCCC[N+](C)(C)C)(C)CInChIKey: VZJFGSRCJCXDSG-UHFFFAOYSA-NInChI: InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2Synonyms: Prestwick1_000038 | Prestwick3_000038 | N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium | .ALPHA.,.OMEGA.-BIS(TRIMETHYL...
