CHEBI:36234 - chenodeoxycholate

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ChEBI Name chenodeoxycholate
ChEBI ID CHEBI:36234
Definition Conjugate base of chenodeoxycholic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23093, CHEBI:13960, CHEBI:57884
Supplier Information
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Formula C24H39O4
Net Charge -1
Average Mass 391.56406
Monoisotopic Mass 391.28538
InChI InChI=1S/C24H40O4/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/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey RUDATBOHQWOJDD-BSWAIDMHSA-M
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[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:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chenodeoxycholate (CHEBI:36234) has role human metabolite (CHEBI:77746)
chenodeoxycholate (CHEBI:36234) is a bile acid anion (CHEBI:36235)
chenodeoxycholate (CHEBI:36234) is a cholanic acid anion (CHEBI:131878)
chenodeoxycholate (CHEBI:36234) is conjugate base of chenodeoxycholic acid (CHEBI:16755)
Incoming chenodeoxycholate-3-O-β-D-glucoside(1−) (CHEBI:142610) has functional parent chenodeoxycholate (CHEBI:36234)
chenodeoxycholic acid (CHEBI:16755) is conjugate acid of chenodeoxycholate (CHEBI:36234)
IUPAC Name
3α,7α-dihydroxy-5β-cholan-24-oate
Synonyms Sources
chenodeoxycholate UniProt
chenodeoxycholate anion ChEBI
chenodeoxycholate(1−) ChEBI
Registry Number Type Source
3703074 Beilstein Registry Number Beilstein
Last Modified
10 March 2014