CHEBI:133661 - hyocholate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hyocholate
ChEBI ID CHEBI:133661
Definition A bile acid anion that is the conjugate base of hyocholic acid, obtained bye deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H39O5
Net Charge -1
Average Mass 407.564
Monoisotopic Mass 407.28030
InChI InChI=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
InChIKey DKPMWHFRUGMUKF-KWXDGCAGSA-M
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H]([C@@H]([C@@]2(C[C@@H](C1)O)[H])O)O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)[H])C
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 hyocholic acid (CHEBI:81244) is conjugate acid of hyocholate (CHEBI:133661)
IUPAC Name
3α,6α,7α-trihydroxy-5β-cholan-24-oate
Synonyms Sources
(3α,5β,6α,7α)-3,6,7-trihydroxycholan-24-oate IUPAC
α-hyocholate ChEBI
γ-muricholate IUPAC
hyocholate UniProt
hyocholic acid ChEBI
Last Modified
28 April 2017