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CHEBI:83023 - 5α-androstane-3α-glcosyl-17β-diol

ChEBI IDCHEBI:83023
ChEBI Name5α-androstane-3α-glcosyl-17β-diol
Stars
ASCII Name5alpha-androstane-3alpha-glcosyl-17beta-diol
DefinitionA steroid saponin that is 5α-androstane-3α,17β-diol attached to a α-D-glucopyranosyl residue at position 3 via a glycosidic linkage.
Last Modified24 September 2014
DownloadsMolfile
FormulaC25H42O7
Net Charge0
Average Mass454.604
Monoisotopic Mass454.29305
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[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C25H42O7/c1-24-9-7-14(31-23-22(30)21(29)20(28)18(12-26)32-23)11-13(24)3-4-15-16-5-6-19(27)25(16,2)10-8-17(15)24/h13-23,26-30H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,19-,20+,21-,22+,23-,24-,25-/m0/s1
InChIKeyWSGAETMBDQLUOJ-JGQFTLOQSA-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)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) has functional parent 5α-androstane-3α,17β-diol (CHEBI:36713)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) has role Daphnia magna metabolite (CHEBI:83056)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) is a 17β-hydroxy steroid (CHEBI:35343)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) is a androstanoid (CHEBI:50402)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) is a monosaccharide derivative (CHEBI:63367)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) is a steroid saponin (CHEBI:61655)
5α-androstane-3α-glcosyl-17β-diol (CHEBI:83023) is a α-D-glucoside (CHEBI:22390)
IUPAC Name 
(3α,5α)-17β-hydroxyandrostan-3-yl α-D-glucopyranoside