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CHEBI:9907 - ursodeoxycholic acid

ChEBI IDCHEBI:9907
ChEBI Nameursodeoxycholic acid
Stars
DefinitionA bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.
Last Modified7 September 2017
DownloadsMolfile

FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@@H](O)C2
InChIInChI=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
InChIKeyRUDATBOHQWOJDD-UZVSRGJWSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (24816727)
Homo sapiens (ncbitaxon:9606) - PubMed (14989050)
Roles Classification

ChEBI Ontology
IUPAC Name 
3α,7β-dihydroxy-5β-cholan-24-oic acid
Synonyms  Source
UrsodiolKEGG COMPOUND
Ursodeoxycholic acidKEGG COMPOUND
(3α,5β,7β)-3,7-dihydroxycholan-24-oic acidChemIDplus
ActigallChemIDplus
UrsodeoxycholateKEGG COMPOUND
3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acidKEGG COMPOUND
Manual XrefsDatabases
C07880KEGG COMPOUND
D00734KEGG DRUG
LMST04010033LIPID MAPS
UrsodiolWikipedia
DB01586DrugBank
HMDB0000946HMDB
LSM-6555LINCS
2797DrugCentral
Registry NumbersSources
Reaxys:3219888Reaxys
CAS:128-13-2KEGG COMPOUND
CAS:128-13-2ChemIDplus
Citations