EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:746937 - (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate

ChEBI IDCHEBI:746937
ChEBI Name(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate
Stars
Last Modified14 November 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H45O5
Net Charge-1
Average Mass449.652
Monoisotopic Mass449.32725
SMILES[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[C@H](C)C(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/p-1/t15-,16+,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyCNWPIIOQKZNXBB-TVOMGIAASA-M
ChEBI Ontology
Outgoing Relation(s)
(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate (CHEBI:746937) is a bile acid anion (CHEBI:36235)
UniProt Name  Source
(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oateUniProt
Citations