Metabolites
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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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D-erythro-sphingosine, Activator of TRPM3;Channel blocker of TRPM7Cas#: 123-78-4 Compound CID: 5280335Formula: C18H37NO2 Molecular Weight: 299.492IUPAC Name: (E,2S,3R)-2-aminooctadec-4-ene-1,3-diolSMILES: CCCCCCCCCCCCCC=CC(C(CO)N)OInChIKey: WWUZIQQURGPMPG-KRWOKUGFSA-NInChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1Synonyms: DL-ERYTHRO-SPHINGOSINE [MI] | dl-Erythro-sphingosine | trans-4-Sphingenine | (2S,3R)-Sphingosine | 4-Octadecene-1,3-d...
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D-erythro-sphingosine-1-phosphate, Agonist of GPR12;Agonist of GPR3;Agonist of GPR63;Agonist of GPR6;Agonist of P2RY10;Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptorCas#: 26993-30-6 Compound CID: 5283560Formula: C18H38NO5P Molecular Weight: 379.472IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphateSMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)OInChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-NInChI: InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1Synonyms: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen p...
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Ethinyl Estradiol, Estrogen receptor alpha agonistCas#: 57-63-6 Compound CID: 5991Formula: C20H24O2 Molecular Weight: 296.4IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diolSMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OInChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-NInChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1Synonyms: Ethinylestradiol (Standard) | Ethynyloestradiol | Estigyn | 17-Ethinylestradiol | CHEBI:4903 | Ethinyl Estradiol [USP...
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Adenosine 3′,5′-cyclic monophosphate, Activator of CNGA2;Activator of CNGA3;Activator of HCN1;Activator of HCN2;Activator of protein kinase ACas#: 60-92-4 Compound CID: 6076Formula: C10H12N5O6P Molecular Weight: 329.21IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-olSMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)OInChIKey: IVOMOUWHDPKRLL-KQYNXXCUSA-NInChI: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1Synonyms: cAMP | bmse000071 | cAMP | Cyclic Monophosphate, Adenosine | 3',5'-cyclic AMP | Adenosine 3',5'-cyclic phosphate | AD...
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NN-dimethyl-D-erythrosphingosine, Activator of TRPM3IUPAC Name: (E,2R,3S)-2-dimethylaminooctadec-4-ene-1,3-diolSMILES: CCCCCCCCCCCCC/C=C/[C@@H]([C@H](N(C)C)CO)OInChIKey: YRXOQXUDKDCXME-QWKHPXNBSA-NInChI: InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m1/s1Synonyms: NN-dimethyl-D-erythrosphingosine | 4-Octadecene-1,3-diol, 2-(dimethylamino)-, (S-(R*,S*-(E)))- | N,N-Dimethylsphingos...
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epipregnanolone sulphate, Activator of TRPM3IUPAC Name: [(2S,5S,7R,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acidSMILES: CC(=O)C1CCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)OInChIKey: MENQCIVHHONJLU-ACWDEBGSSA-NInChI: InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15+,16?,17?,18?,19?,20+,21-/m1/s1
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pregnenolone sulphate, Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3Cas#: 1247-64-9 Compound CID: 105074IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfateSMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)CInChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-NInChI: InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1Synonyms: CMC_13403 | BDBM50503144 | UNII-04Y4D91RG0 | PREGS | Pregnenolone monosulfate | [3H]pregnenolone sulphate | LUZRJRNZX...