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

ChEBI IDCHEBI:18329
ChEBI Name5α-androstane-3β,17β-diol
Stars
ASCII Name5alpha-androstane-3beta,17beta-diol
DefinitionAn androstane-3,17-diol that is 5α-androstane substituted by β-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone.
Secondary ChEBI IDsCHEBI:12167, CHEBI:20637, CHEBI:31138, CHEBI:40768
Last Modified24 October 2018
DownloadsMolfile
FormulaC19H32O2
Net Charge0
Average Mass292.463
Monoisotopic Mass292.24023
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O)CC[C@@]34[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=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
InChIKeyCBMYJHIOYJEBSB-YSZCXEEOSA-N
Species of MetaboliteComponentSourceComments
Daphnia magna (ncbitaxon:35525) - Article (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 (ncbitaxon:9606) - PubMed (15958594)
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOLPDBeChem
3β,17β-dihydroxy-5α-androstaneNIST Chemistry WebBook
5alpha-Androstan-3beta,17beta-diolKEGG COMPOUND
(3β,5α,17β)-androstane-3,17-diolNIST Chemistry WebBook
UniProt Name  Source
5α-androstane-3β,17β-diolUniProt
Manual XrefsDatabases
C12525KEGG COMPOUND
AOMPDBeChem
LMST02020053LIPID MAPS
DB03882DrugBank
HMDB0000493HMDB
Registry NumbersSources
Reaxys:2559488Reaxys
CAS:571-20-0NIST Chemistry WebBook
CAS:571-20-0ChemIDplus
CAS:571-20-0KEGG COMPOUND
Citations