CHEBI:81276 - allodeoxycholic acid

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ChEBI Name allodeoxycholic acid
Definition An allo-bile acid that is 5α-cholan-24-oic acid bearing two α-hydroxy substituents at position 3 and 12.
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([H])[C@@H](CCC(O)=O)C)[H])C)O)[H])C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
Arius platystomus (NCBI:txid1455662) 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): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing allodeoxycholic acid (CHEBI:81276) has role marine metabolite (CHEBI:76507)
allodeoxycholic acid (CHEBI:81276) has role rat metabolite (CHEBI:86264)
allodeoxycholic acid (CHEBI:81276) has role xenobiotic metabolite (CHEBI:76206)
allodeoxycholic acid (CHEBI:81276) is a 12α-hydroxy steroid (CHEBI:36846)
allodeoxycholic acid (CHEBI:81276) is a 3α-hydroxy steroid (CHEBI:36835)
allodeoxycholic acid (CHEBI:81276) is a allo-bile acid (CHEBI:138365)
allodeoxycholic acid (CHEBI:81276) is a C24-steroid (CHEBI:131620)
allodeoxycholic acid (CHEBI:81276) is conjugate acid of allodeoxycholate (CHEBI:137662)
Incoming allodeoxycholoyl-CoA (CHEBI:138377) has functional parent allodeoxycholic acid (CHEBI:81276)
allodeoxycholate (CHEBI:137662) is conjugate base of allodeoxycholic acid (CHEBI:81276)
3α,12α-dihydroxy-5α-cholan-24-oic acid
Synonyms Sources
(3α,5α,12α)-3,12-dihydroxycholan-24-oic acid IUPAC
3alpha,12alpha-Dihydroxy-5alpha-cholanoic acid KEGG COMPOUND
5α-deoxycholic acid ChEBI
5alpha-Deoxycholic acid KEGG COMPOUND
Manual Xrefs Databases
HMDB0000478 HMDB
View more database links
Registry Number Type Source
3219880 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14216431 PubMed citation Europe PMC
19464381 PubMed citation Europe PMC
26142515 PubMed citation Europe PMC
3728645 PubMed citation Europe PMC
5640504 PubMed citation Europe PMC
5797529 PubMed citation Europe PMC
6031333 PubMed citation Europe PMC
6048661 PubMed citation Europe PMC
7326029 PubMed citation Europe PMC
7662670 PubMed citation Europe PMC
835057 PubMed citation Europe PMC
Last Modified
04 September 2017