EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133661 - hyocholate

ChEBI IDCHEBI:133661
ChEBI Namehyocholate
Stars
DefinitionA bile acid anion that is the conjugate base of hyocholic acid, obtained bye deprotonation of the carboxy group; major species at pH 7.3.
Last Modified28 April 2017
Submitterjjtluanloet
DownloadsMolfile
FormulaC24H39O5
Net Charge-1
Average Mass407.571
Monoisotopic Mass407.28030
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)[O-])[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@@H](O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/p-1/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
InChIKeyDKPMWHFRUGMUKF-KWXDGCAGSA-M
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
hyocholate (CHEBI:133661) has role human urinary metabolite (CHEBI:84087)
hyocholate (CHEBI:133661) has role mouse metabolite (CHEBI:75771)
hyocholate (CHEBI:133661) has role rat metabolite (CHEBI:86264)
hyocholate (CHEBI:133661) is a bile acid anion (CHEBI:36235)
hyocholate (CHEBI:133661) is conjugate base of hyocholic acid (CHEBI:81244)
Incoming Relation(s)
hyocholic acid (CHEBI:81244) is conjugate acid of hyocholate (CHEBI:133661)
IUPAC Name 
3α,6α,7α-trihydroxy-5β-cholan-24-oate
Synonyms  Source
hyocholic acidChEBI
α-hyocholateChEBI
γ-muricholateIUPAC
(3α,5β,6α,7α)-3,6,7-trihydroxycholan-24-oateIUPAC
UniProt Name  Source
hyocholateUniProt