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CHEBI:145044 - pregnenolone 3-β-D-glucoside

ChEBI IDCHEBI:145044
ChEBI Namepregnenolone 3-β-D-glucoside
Stars
ASCII Namepregnenolone 3-beta-D-glucoside
DefinitionA sterol 3-β-D-glucoside in which the sterol is 3β-hydroxypregn-5-en-20-one.
Last Modified23 October 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H42O7
Net Charge0
Average Mass478.626
Monoisotopic Mass478.29305
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@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C27H42O7/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/h4,16-25,28,30-32H,5-13H2,1-3H3/t16-,17-,18+,19-,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKeyKCBQUTGDLFZEIG-KNSPFVISSA-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)
pregnenolone 3-β-D-glucoside (CHEBI:145044) has functional parent pregnenolone (CHEBI:16581)
pregnenolone 3-β-D-glucoside (CHEBI:145044) is a 20-oxo steroid (CHEBI:36885)
pregnenolone 3-β-D-glucoside (CHEBI:145044) is a monosaccharide derivative (CHEBI:63367)
pregnenolone 3-β-D-glucoside (CHEBI:145044) is a sterol 3-β-D-glucoside (CHEBI:37424)
IUPAC Name 
20-oxopregn-5-en-3β-yl β-D-glucopyranoside
Synonyms  Source
pregnenolone β-D-glucosideChEBI
pregnenolone β-D-glucopyranosideChEBI
UniProt Name  Source
pregnenolone 3-β-D-glucosideUniProt
Citations