CHEBI:36713 - 5α-androstane-3α,17β-diol

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ChEBI Name 5α-androstane-3α,17β-diol
ChEBI ID CHEBI:36713
ChEBI ASCII Name 5alpha-androstane-3alpha,17beta-diol
Definition The 5α-stereoisomer of androstane-3α,17β-diol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H32O2
Net Charge 0
Average Mass 292.45618
Monoisotopic Mass 292.24023
InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
InChIKey CBMYJHIOYJEBSB-KHOSGYARSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
Metabolite of Species Details
Daphnia magna (NCBI:txid35525) See: Changes in the Metabolic Elimination Profile of Testosterone Following Exposure of the Crustacean Daphnia magna to TributyltinGerald A. LeBlanc and James B. McLachlanEcotoxicology and Environmental Safety 45, 296-303 (2000)
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Daphnia magna metabolite
A Daphnia metabolite produced by the species Daphnia magna.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5α-androstane-3α,17β-diol (CHEBI:36713) has role Daphnia magna metabolite (CHEBI:83056)
5α-androstane-3α,17β-diol (CHEBI:36713) has role human metabolite (CHEBI:77746)
5α-androstane-3α,17β-diol (CHEBI:36713) is a androstane-3α,17β-diol (CHEBI:18011)
Incoming 5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517) has functional parent 5α-androstane-3α,17β-diol (CHEBI:36713)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) has functional parent 5α-androstane-3α,17β-diol (CHEBI:36713)
IUPAC Name
5α-androstane-3α,17β-diol
Synonyms Sources
(3α,5α,17β)-androstane-3,17-diol NIST Chemistry WebBook
3α,17β-dihydroxy-5α-androstane NIST Chemistry WebBook
5α-androstane-3α,17β-diol UniProt
hombreol ChemIDplus
Manual Xrefs Databases
HMDB0000495 HMDB
LMST02020052 LIPID MAPS
View more database links
Registry Numbers Types Sources
1852-53-5 CAS Registry Number ChemIDplus
1852-53-5 CAS Registry Number NIST Chemistry WebBook
2694353 Beilstein Registry Number ChemIDplus
Citation Waiting for Citations Type Source
11500254 PubMed citation Europe PMC
Last Modified
29 September 2016