HGMMX

Ursodeoxycholic acid

Type: Approved drug
PubChem: 31401
DrugBank: DB01586
IUPAC: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Standard InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
Standard InChIKey: RUDATBOHQWOJDD-UZVSRGJWSA-N
SMILES: CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Metabolism-related information: Decrease activity
Reference: 10.1016/S0016-5085(79)80079-7

Metabolites

Chemical Structure Metablite's name Reaction name Genus Species Reference
3-Hydroxycholan-24-oic acidHydroxylationGut microbiotaGut microbiota10.1016/S0016-5085(79)80079-7