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CHEBI:83027 - 16β-hydroxytestosterone

ChEBI IDCHEBI:83027
ChEBI Name16β-hydroxytestosterone
Stars
ASCII Name16beta-hydroxytestosterone
DefinitionAn androstanoid that is testosterone substituted by a β-hydroxy group at position 16. A natural product found in Daphnia magna exposed to the biocide tributyltin.
Last Modified22 June 2015
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@@H](O)C[C@@]21[H]
InChIInChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKeyYMCWOAZGWMZGQT-KYQPOWKGSA-N
Species of MetaboliteComponentSourceComments
Daphnia magna (ncbitaxon:35525) - Article (Alteration of [14C]-Testosterone Metabolism After Chronic Exposure of Daphnia magna to TributyltinE. Oberdörster, D. Rittschof, G. A. LeBlancArch. Environ. Contam. Toxicol. 34, 21-25 (1998))
Roles Classification
Biological Roles:
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
16β-hydroxytestosterone (CHEBI:83027) has functional parent testosterone (CHEBI:17347)
16β-hydroxytestosterone (CHEBI:83027) has role Daphnia magna metabolite (CHEBI:83056)
16β-hydroxytestosterone (CHEBI:83027) has role androgen (CHEBI:50113)
16β-hydroxytestosterone (CHEBI:83027) is a 16β-hydroxy steroid (CHEBI:17354)
16β-hydroxytestosterone (CHEBI:83027) is a 17β-hydroxy steroid (CHEBI:35343)
16β-hydroxytestosterone (CHEBI:83027) is a 3-oxo-Δ4 steroid (CHEBI:47909)
16β-hydroxytestosterone (CHEBI:83027) is a androstanoid (CHEBI:50402)
IUPAC Name 
16β,17β-dihydroxyandrost-4-en-3-one
UniProt Name  Source
16β,17β-dihydroxyandrost-4-en-3-oneUniProt
Registry NumbersSources
Reaxys:2625788Reaxys
Citations