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

ChEBI IDCHEBI:36713
ChEBI Name5α-androstane-3α,17β-diol
Stars
ASCII Name5alpha-androstane-3alpha,17beta-diol
DefinitionThe 5α-stereoisomer of androstane-3α,17β-diol.
Last Modified14 September 2021
SubmitterKirill Degtyarenko
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-KHOSGYARSA-N
Wikipedia
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) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) has functional parent 5α-androstane-3α,17β-diol (CHEBI:36713)
5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517) has functional parent 5α-androstane-3α,17β-diol (CHEBI:36713)
5α-androstane-3β,17β-diol 3-O-(β-D-glucuronide) (CHEBI:88730) has functional parent 5α-androstane-3α,17β-diol (CHEBI:36713)
IUPAC Name 
5α-androstane-3α,17β-diol
Synonyms  Source
3α,17β-dihydroxy-5α-androstaneNIST Chemistry WebBook
(3α,5α,17β)-androstane-3,17-diolNIST Chemistry WebBook
hombreolChemIDplus
UniProt Name  Source
5α-androstane-3α,17β-diolUniProt
Manual XrefsDatabases
15039ChemSpider
3%CE%B1-AndrostanediolWikipedia
HMDB0000495HMDB
LMST02020052LIPID MAPS
Registry NumbersSources
Beilstein:2694353Beilstein
CAS:1852-53-5NIST Chemistry WebBook
CAS:1852-53-5ChemIDplus
Citations