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CHEBI:145048 - epiandrosterone 3-β-D-glucoside

ChEBI IDCHEBI:145048
ChEBI Nameepiandrosterone 3-β-D-glucoside
Stars
ASCII Nameepiandrosterone 3-beta-D-glucoside
DefinitionA sterol 3-β-D-glucoside that has epiandrosterone as the sterol component.
Last Modified31 October 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H40O7
Net Charge0
Average Mass452.588
Monoisotopic Mass452.27740
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=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/C25H40O7/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/h13-18,20-23,26,28-30H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20+,21-,22+,23+,24-,25-/m0/s1
InChIKeyKNJIBCLNEUIEHR-ZZYATJHVSA-N
Roles Classification
Biological Role:
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)
epiandrosterone 3-β-D-glucoside (CHEBI:145048) has functional parent epiandrosterone (CHEBI:541975)
epiandrosterone 3-β-D-glucoside (CHEBI:145048) is a 17-oxo steroid (CHEBI:19168)
epiandrosterone 3-β-D-glucoside (CHEBI:145048) is a monosaccharide derivative (CHEBI:63367)
epiandrosterone 3-β-D-glucoside (CHEBI:145048) is a sterol 3-β-D-glucoside (CHEBI:37424)
IUPAC Name 
17-oxo-5α-androstan-3β-yl β-D-glucopyranoside
Synonym  Source
3β-hydroxy-5α-androstan-17-one 3-β-D-glucosideSUBMITTER
UniProt Name  Source
epiandrosterone 3-β-D-glucosideUniProt