CHEBI:79877 - Apocholic acid

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ChEBI Name Apocholic acid ChEBI ID CHEBI:79877 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H38O4 Net Charge 0 Average Mass 390.55610 Monoisotopic Mass 390.27701 InChI InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 InChIKey XWJTYEGVQBFZHI-IMPNNSMHSA-N SMILES C[C@H](CCC(O)=O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ChEBI Ontology Outgoing Apocholic acid (CHEBI:79877) is a cholanoid (CHEBI:36078) Synonyms Sources (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid ChEBI (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid ChEBI 3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid KEGG COMPOUND Manual Xref Database C15375 KEGG COMPOUND View more database links Registry Number Type Source 641-81-6 CAS Registry Number KEGG COMPOUND Last Modified 16 July 2015