CHEBI:18329 - 5α-androstane-3β,17β-diol

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ChEBI Name 5α-androstane-3β,17β-diol
ChEBI ID CHEBI:18329
ChEBI ASCII Name 5alpha-androstane-3beta,17beta-diol
Definition An androstane-3,17-diol that is 5α-androstane substituted by β-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40768, CHEBI:20637, CHEBI:31138, CHEBI:12167
Supplier Information
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Formula C19H32O2
Net Charge 0
Average Mass 292.45620
Monoisotopic Mass 292.240
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-YSZCXEEOSA-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:35525) 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:9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Daphnia magna metabolite
A Daphnia metabolite produced by the species Daphnia magna.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5α-androstane-3β,17β-diol (CHEBI:18329) has role Daphnia magna metabolite (CHEBI:83056)
5α-androstane-3β,17β-diol (CHEBI:18329) has role human metabolite (CHEBI:77746)
5α-androstane-3β,17β-diol (CHEBI:18329) is a 17β-hydroxy steroid (CHEBI:35343)
5α-androstane-3β,17β-diol (CHEBI:18329) is a 3β-hydroxy steroid (CHEBI:36836)
5α-androstane-3β,17β-diol (CHEBI:18329) is a androstane-3,17-diol (CHEBI:27727)
Incoming (3β,5α,17β)-3-hydroxyandrostan-17-yl sulfate (CHEBI:138032) has functional parent 5α-androstane-3β,17β-diol (CHEBI:18329)
5α-androstane-3α,17β-diol disulfate (CHEBI:133101) has functional parent 5α-androstane-3β,17β-diol (CHEBI:18329)
5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) has functional parent 5α-androstane-3β,17β-diol (CHEBI:18329)
5α-androstane-3β,17β-diol disulfate (CHEBI:133115) has functional parent 5α-androstane-3β,17β-diol (CHEBI:18329)
IUPAC Name
5α-androstane-3β,17β-diol
Synonyms Sources
(3β,5α,17β)-androstane-3,17-diol NIST Chemistry WebBook
3β,17β-dihydroxy-5α-androstane NIST Chemistry WebBook
5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL PDBeChem
5alpha-Androstan-3beta,17beta-diol KEGG COMPOUND
5α-androstane-3β,17β-diol UniProt
Database Links Databases
AOM PDBeChem
C12525 KEGG COMPOUND
DB03882 DrugBank
HMDB0000493 HMDB
LMST02020053 LIPID MAPS
View more database links
Registry Numbers Types Sources
2559488 Reaxys Registry Number Reaxys
2559488 Beilstein Registry Number ChemIDplus
571-20-0 CAS Registry Number KEGG COMPOUND
571-20-0 CAS Registry Number NIST Chemistry WebBook
571-20-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
15958594 PubMed citation Europe PMC
Last Modified
27 July 2017