CHEBI:29747 - cholate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholate
ChEBI ID CHEBI:29747
Definition A bile acid anion that is the conjugate base of cholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13978, CHEBI:11895, CHEBI:20216, CHEBI:23168, CHEBI:57748
Supplier Information
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Formula C24H39O5
Net Charge -1
Average Mass 407.56346
Monoisotopic Mass 407.280
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey BHQCQFFYRZLCQQ-OELDTZBJSA-M
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@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cholate (CHEBI:29747) has role human metabolite (CHEBI:77746)
cholate (CHEBI:29747) has role mouse metabolite (CHEBI:75771)
cholate (CHEBI:29747) is a bile acid anion (CHEBI:36235)
cholate (CHEBI:29747) is a cholanic acid anion (CHEBI:131878)
cholate (CHEBI:29747) is conjugate base of cholic acid (CHEBI:16359)
Incoming cholate salt (CHEBI:23169) has part cholate (CHEBI:29747)
cholic acid (CHEBI:16359) is conjugate acid of cholate (CHEBI:29747)
IUPAC Name
3α,7α,12α-trihydroxy-5β-cholan-24-oate
Synonyms Sources
3α,7α,12α-trihydroxy-5β-cholanate ChEBI
cholate UniProt
Registry Numbers Types Sources
3915750 Reaxys Registry Number Reaxys
3915750 Beilstein Registry Number Beilstein
Last Modified
01 September 2014