CHEBI:88098 - 3β,12α-dihydroxy-5β-cholan-24-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3β,12α-dihydroxy-5β-cholan-24-oic acid
ChEBI ASCII Name 3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid
Definition A dihydroxy-5β-cholanic acid in which the two hydroxy groups are located at positions 3β and 12α. The 3β-hydroxy epimer of deoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H40O4
Net Charge 0
Average Mass 392.573
Monoisotopic Mass 392.29266
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
SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)O)[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
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 metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) has role human metabolite (CHEBI:77746)
3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is a 12α-hydroxy steroid (CHEBI:36846)
3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is a 3β-hydroxy steroid (CHEBI:36836)
3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is a bile acid (CHEBI:3098)
3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is a dihydroxy-5β-cholanic acid (CHEBI:23775)
3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is conjugate acid of 3β,12α-dihydroxy-5β-cholan-24-oate (CHEBI:87733)
Incoming 3β,12α-dihydroxy-5β-cholan-24-oate (CHEBI:87733) is conjugate base of 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098)
3β,12α-dihydroxy-5β-cholan-24-oic acid
Synonyms Sources
(3β,5β,12α)-3,12-dihydroxycholan-24-oic acid IUPAC
3-Epideoxycholic acid HMDB
3β-deoxycholic acid HMDB
Isodeoxycholic acid LIPID MAPS
Manual Xrefs Databases
HMDB0000438 HMDB
View more database links
Registry Numbers Types Sources
3219883 Reaxys Registry Number Reaxys
570-63-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10733557 PubMed citation Europe PMC
14680217 PubMed citation Europe PMC
26192599 PubMed citation Europe PMC
Last Modified
05 October 2015