Compound Details

 Compound-ID 6276
 Common Name Taurolithocholate
 Synonyms Taurolithocholic acid
 InChI InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
 SMILES [H]C34(CCC1([H])(C([H])(CCC2(C)(C([H])(CCC12([H]))C(C)CCC(=O)NCCS(O)(=O)=O))C4(C)(CCC(O)C3)))
 External Links
 KEGG-COMPOUND-ID C02592
 PUBCHEM-ID 5584
 ChEBI-ID 36259
17179
 BioModels 36259
17179


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