CHEBI:28834 - deoxycholic acid

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ChEBI Name deoxycholic acid
ChEBI ID CHEBI:28834
Definition A bile acid that is 5β-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42317, CHEBI:1687, CHEBI:23616
Supplier Information
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Formula C24H40O4
Net Charge 0
Average Mass 392.57200
Monoisotopic Mass 392.293
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)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey KXGVEGMKQFWNSR-LLQZFEROSA-N
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:9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing deoxycholic acid (CHEBI:28834) has role human blood serum metabolite (CHEBI:85234)
deoxycholic acid (CHEBI:28834) is a bile acid (CHEBI:3098)
deoxycholic acid (CHEBI:28834) is a C24-steroid (CHEBI:131620)
deoxycholic acid (CHEBI:28834) is a dihydroxy-5β-cholanic acid (CHEBI:23775)
deoxycholic acid (CHEBI:28834) is conjugate acid of deoxycholate (CHEBI:23614)
Incoming 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) has functional parent deoxycholic acid (CHEBI:28834)
deoxycholoyl-CoA (CHEBI:50111) has functional parent deoxycholic acid (CHEBI:28834)
glycodeoxycholic acid (CHEBI:27471) has functional parent deoxycholic acid (CHEBI:28834)
taurodeoxycholic acid (CHEBI:9410) has functional parent deoxycholic acid (CHEBI:28834)
deoxycholate (CHEBI:23614) is conjugate base of deoxycholic acid (CHEBI:28834)
IUPAC Name
3α,12α-dihydroxy-5β-cholan-24-oic acid
Synonyms Sources
(3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID
Note: (2006-07-10) This is a misnomer.
PDBeChem
(3α,5β,12α)-3,12-dihydroxycholan-24-oic acid ChemIDplus
3alpha,12alpha-Dihydroxy-5beta-cholanic acid KEGG COMPOUND
7α-deoxycholic acid ChemIDplus
Deoxycholic acid KEGG COMPOUND
desoxycholic acid ChemIDplus
Desoxycholsäure ChEBI
Database Links Databases
C00030117 KNApSAcK
C04483 KEGG COMPOUND
DB03619 DrugBank
DXC PDBeChem
LMST04010040 LIPID MAPS
LSM-5529 LINCS
View more database links
Registry Numbers Types Sources
3219882 Beilstein Registry Number ChemIDplus
670078 Gmelin Registry Number Gmelin
83-44-3 CAS Registry Number ChemIDplus
Last Modified
25 February 2016