CHEBI:136724 - 1β-hydroxydeoxycholic acid

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ChEBI Name 1β-hydroxydeoxycholic acid
ChEBI ASCII Name 1beta-hydroxydeoxycholic acid
Definition A trihydroxy-5β-cholanic acid in which the three hydroxy groups are located at positions 1β, 3α, and 12α.
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(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1
SMILES [C@@H]1([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)O
Metabolite of Species Details
Homo Sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
bile acid metabolite
Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1β-hydroxydeoxycholic acid (CHEBI:136724) has role bile acid metabolite (CHEBI:48887)
1β-hydroxydeoxycholic acid (CHEBI:136724) has role human urinary metabolite (CHEBI:84087)
1β-hydroxydeoxycholic acid (CHEBI:136724) is a 1-hydroxy steroid (CHEBI:71017)
1β-hydroxydeoxycholic acid (CHEBI:136724) is a 12α-hydroxy steroid (CHEBI:36846)
1β-hydroxydeoxycholic acid (CHEBI:136724) is a 3β-hydroxy steroid (CHEBI:36836)
1β-hydroxydeoxycholic acid (CHEBI:136724) is a trihydroxy-5β-cholanic acid (CHEBI:27114)
1β,3α,12α-trihydroxy-5β-cholan-24-oic acid
Synonyms Sources
(1β,3α,5β,12α)-1,3,12-trihydroxycholan-24-oic acid IUPAC
1beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid ChemIDplus
1beta,3alpha,2alpha-Trihydroxy-5beta-cholanoic acid ChemIDplus
1beta-Hydroxydeoxycholic acid ChemIDplus
1β-OH-deoxycholic acid ChEBI
Registry Numbers Types Sources
5768876 Reaxys Registry Number Reaxys
80434-32-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15708356 PubMed citation Europe PMC
27402728 PubMed citation Europe PMC
Last Modified
05 April 2017