ursocholate -1 407.2803 407.571 ursocholate chebi_ontology pubmed:22198717 InChI=1S/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1 3alpha,7beta,12alpha-trihydroxy-5beta-cholan-24-oate 3alpha,7beta,12alpha-trihydroxy-5beta-cholan-24-oate [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)[O-])[C@]1([H])[C@@H](O)C2 A cholanic acid anion that is the conjugate base of ursocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. BHQCQFFYRZLCQQ-UTLSPDKDSA-M CHEBI:137880 (3alpha,5beta,7beta,12alpha)-3,7,12-trihydroxycholan-24-oate C24H39O5 carboxylic acid anion