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CHEBI:83022 - glucosyltestosterone

ChEBI IDCHEBI:83022
ChEBI Nameglucosyltestosterone
Stars
DefinitionA steroid saponin that is the α-D-glucopyranosyl derivative of testosterone. It has been found in Daphnia magna.
Last Modified24 September 2014
DownloadsMolfile
FormulaC25H38O7
Net Charge0
Average Mass450.572
Monoisotopic Mass450.26175
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)C(O)C3O)CC[C@@]21[H]
InChIInChI=1S/C25H38O7/c1-24-9-7-14(27)11-13(24)3-4-15-16-5-6-19(25(16,2)10-8-17(15)24)32-23-22(30)21(29)20(28)18(12-26)31-23/h11,15-23,26,28-30H,3-10,12H2,1-2H3/t15-,16-,17-,18+,19-,20+,21?,22?,23+,24-,25-/m0/s1
InChIKeyWJHHVCCYLJBCAD-NNCWXHGPSA-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))
Roles Classification
Biological Roles:
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
glucosyltestosterone (CHEBI:83022) has functional parent testosterone (CHEBI:17347)
glucosyltestosterone (CHEBI:83022) has role Daphnia magna metabolite (CHEBI:83056)
glucosyltestosterone (CHEBI:83022) is a 3-oxo-Δ4 steroid (CHEBI:47909)
glucosyltestosterone (CHEBI:83022) is a monosaccharide derivative (CHEBI:63367)
glucosyltestosterone (CHEBI:83022) is a steroid saponin (CHEBI:61655)
glucosyltestosterone (CHEBI:83022) is a α-D-glucoside (CHEBI:22390)
IUPAC Name 
(17β)-3-oxoandrost-4-en-17-yl α-D-glucopyranoside