CHEBI:23614 - deoxycholate

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ChEBI Name deoxycholate
ChEBI ID CHEBI:23614
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H39O4
Net Charge -1
Average Mass 391.56406
Monoisotopic Mass 391.285
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey KXGVEGMKQFWNSR-LLQZFEROSA-M
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
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 deoxycholate (CHEBI:23614) has role human metabolite (CHEBI:77746)
deoxycholate (CHEBI:23614) is a bile acid anion (CHEBI:36235)
deoxycholate (CHEBI:23614) is a cholanic acid anion (CHEBI:131878)
deoxycholate (CHEBI:23614) is conjugate base of deoxycholic acid (CHEBI:28834)
Incoming sodium deoxycholate (CHEBI:9177) has part deoxycholate (CHEBI:23614)
deoxycholic acid (CHEBI:28834) is conjugate acid of deoxycholate (CHEBI:23614)
IUPAC Name
3α,12α-dihydroxy-5β-cholan-24-oate
Synonyms Sources
3α,12α-dihydroxy-5β-cholanate ChEBI
deoxycholate UniProt
Desoxycholat ChEBI
Registry Numbers Types Sources
1774558 Gmelin Registry Number Gmelin
3629953 Beilstein Registry Number Beilstein
Last Modified
04 April 2017