Compound Details

 Compound-ID 6759
 Common Name Taurolithocholate sulfate
 Synonyms 3alpha-Sulfatolithocholyltaurine
Taurolithocholic acid 3-sulfate
 InChI InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/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(C3)OS(=O)(O)=O)))
 External Links
 KEGG-COMPOUND-ID C03642
 PUBCHEM-ID 6424
 ChEBI-ID 17864
 BioModels 17864


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