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

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ChEBI Name pregnenolone 3-β-D-glucoside
ChEBI ID CHEBI:145044
ChEBI ASCII Name pregnenolone 3-beta-D-glucoside
Definition A sterol 3-β-D-glucoside in which the sterol is 3β-hydroxypregn-5-en-20-one.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C27H42O7
Net Charge 0
Average Mass 478.626
Monoisotopic Mass 478.29305
InChI InChI=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
InChIKey KCBQUTGDLFZEIG-KNSPFVISSA-N
SMILES C1[C@@]2([C@]3(CC[C@]4(C)[C@@H](C(C)=O)CC[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])[H])[H])C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing 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 Sources
pregnenolone 3-β-D-glucoside UniProt
pregnenolone β-D-glucopyranoside ChEBI
pregnenolone β-D-glucoside ChEBI
Citation Waiting for Citations Type Source
25888493 PubMed citation SUBMITTER
Last Modified
23 October 2019