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CHEBI:145050 - 16,17-didehydropregnenolone 3-β-D-glucoside

ChEBI IDCHEBI:145050
ChEBI Name16,17-didehydropregnenolone 3-β-D-glucoside
Stars
ASCII Name16,17-didehydropregnenolone 3-beta-D-glucoside
DefinitionA sterol 3β-D-glucoside in which the parent sterol is 16,17-didehydropregnenolone.
Last Modified1 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H40O7
Net Charge0
Average Mass476.610
Monoisotopic Mass476.27740
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(C(C)=O)=CC[C@@]21[H]
InChIInChI=1S/C27H40O7/c1-14(29)18-6-7-19-17-5-4-15-12-16(8-10-26(15,2)20(17)9-11-27(18,19)3)33-25-24(32)23(31)22(30)21(13-28)34-25/h4,6,16-17,19-25,28,30-32H,5,7-13H2,1-3H3/t16-,17-,19-,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKeyQGPKWSCRJIOXBP-XLDQIIBYSA-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)
16,17-didehydropregnenolone 3-β-D-glucoside (CHEBI:145050) has functional parent 16,17-didehydropregnenolone (CHEBI:27486)
16,17-didehydropregnenolone 3-β-D-glucoside (CHEBI:145050) is a 20-oxo steroid (CHEBI:36885)
16,17-didehydropregnenolone 3-β-D-glucoside (CHEBI:145050) is a monosaccharide derivative (CHEBI:63367)
16,17-didehydropregnenolone 3-β-D-glucoside (CHEBI:145050) is a sterol 3-β-D-glucoside (CHEBI:37424)
IUPAC Name 
20-oxopregna-5,16-dien-3β-yl β-D-glucopyranoside
Synonyms  Source
3β-(β-D-glucopyranosyloxy)pregna-5,16-diene-20-oneChEBI
16,17-didehydropregnenolone 3-β-D-glucopyranosideChEBI
UniProt Name  Source
16,17-didehydropregnenolone 3-β-D-glucosideUniProt
Citations