Compound Details

 Compound-ID 7460
 Common Name 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate
 Synonyms 7-Oxodeoxycholic acid
 InChI InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1
 SMILES [H]C(C)(CCC(O)=O)C2CCC3([H])(C4([H])(C(=O)CC1([H])(CC(O)CCC1(C)C4([H])(CC(O)C23(C)))))
 External Links
 KEGG-COMPOUND-ID C04643
 PUBCHEM-ID 7232
 ChEBI-ID 16390
11893
 METACYC-ID CHOLANATE2
 METANETX-ID MNXM734598


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