CHEBI:88105 - 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid

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ChEBI Name 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid
ChEBI ASCII Name 3beta,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
Definition A trihydroxy-5β-cholanic acid that is 5β-cholan-24-oic acid substituted by hydroxy groups at positions 3, 7 and 12 (the 3β,7α,12α stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H40O5
Net Charge 0
Average Mass 408.572
Monoisotopic Mass 408.28757
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@H](C1)O)[H])O)[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,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) has role human metabolite (CHEBI:77746)
3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a 12α-hydroxy steroid (CHEBI:36846)
3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a 3β-hydroxy steroid (CHEBI:36836)
3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a 7α-hydroxy steroid (CHEBI:36843)
3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a bile acid (CHEBI:3098)
3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a trihydroxy-5β-cholanic acid (CHEBI:27114)
3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is conjugate acid of 3β,7α,12α-trihydroxy-5β-cholan-24-oate (CHEBI:87735)
Incoming 3β,7α,12α-trihydroxy-5β-cholan-24-oate (CHEBI:87735) is conjugate base of 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105)
3β,7α,12α-trihydroxy-5β-cholan-24-oic acid
Synonyms Sources
(3β,5β,7α,12α)-3,7,12-trihydroxycholan-24-oic acid IUPAC
3-epi-cholic acid ChEBI
3-epicholic acid ChEBI
3β-cholic acid ChEBI
isocholic acid ChEBI
Manual Xrefs Databases
HMDB0000419 HMDB
View more database links
Registry Numbers Types Sources
3222497 Reaxys Registry Number Reaxys
3338-16-7 CAS Registry Number HMDB
Citations Waiting for Citations Types Sources
26192599 PubMed citation Europe PMC
3468121 PubMed citation Europe PMC
3778926 PubMed citation Europe PMC
Last Modified
05 October 2015