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deoxycholic acid (CHEBI:28834)

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ChEBI Name deoxycholic acid
ChEBI ID CHEBI:28834
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1687, CHEBI:23616, CHEBI:42317
Supplier Information
See structure as:  Image  Applet
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Formula Source
C24H40O4 KEGG COMPOUND
Net Charge 0
Average Mass 392.57200
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
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing deoxycholic acid (CHEBI:28834) is a bile acid (CHEBI:3098)
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
C04483 KEGG COMPOUND
DB03619 DrugBank
DXC PDBeChem
LMST04010040 LIPID MAPS
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
04 June 2013

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