EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:759133 - berberine ursodeoxycholate

Default Structure
ChEBI IDCHEBI:759133
ChEBI Nameberberine ursodeoxycholate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC24H39O4.C20H18NO4
Net Charge0
Average Mass727.939
Monoisotopic Mass727.40842
SMILESCOc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[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.C20H18NO4/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;1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);3-4,7-10H,5-6,11H2,1-2H3/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-;/m1./s1
InChIKeyFHZVFXJRSFLYDY-FUXQPCDDSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
berberine ursodeoxycholate (CHEBI:759133) is a bile acid (CHEBI:3098)
INNs  Source
berberine ursodeoxycholateWHO MedNet
ursodeoxycholate de berberineWHO MedNet
ursodeoxycholato de berberinaWHO MedNet
Synonyms  Source
HTD-1801ChEMBL
HTD1801ChEMBL