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CHEBI:145046 - 3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside

ChEBI IDCHEBI:145046
ChEBI Name3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside
Stars
ASCII Name3beta-hydroxy-16alpha,17alpha-epoxypregnenolone 3-beta-D-glucoside
DefinitionAn epoxy steroid that is 3β-hydroxypregnenolone 3-β-D-glucoside in which the hydrogens at the 16alpha and 17alpha positions have been replaced by the oxygen of the epoxide ring.
Last Modified31 October 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H40O8
Net Charge0
Average Mass492.609
Monoisotopic Mass492.27232
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@@]2([H])C[C@H]2O[C@]21C(C)=O
InChIInChI=1S/C27H40O8/c1-13(29)27-20(35-27)11-18-16-5-4-14-10-15(6-8-25(14,2)17(16)7-9-26(18,27)3)33-24-23(32)22(31)21(30)19(12-28)34-24/h4,15-24,28,30-32H,5-12H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22-,23+,24+,25-,26-,27+/m0/s1
InChIKeySQOBYKQKYDLAPW-JTUWGOFYSA-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)
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside (CHEBI:145046) has functional parent 3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045)
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside (CHEBI:145046) is a 20-oxo steroid (CHEBI:36885)
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside (CHEBI:145046) is a epoxy steroid (CHEBI:145217)
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside (CHEBI:145046) is a methyl ketone (CHEBI:51867)
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside (CHEBI:145046) is a monosaccharide derivative (CHEBI:63367)
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside (CHEBI:145046) is a sterol 3-β-D-glucoside (CHEBI:37424)
IUPAC Name 
20-oxo-16α-16,17-epoxypregn-5-en-3β-yl β-D-glucopyranoside
UniProt Name  Source
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucosideUniProt
Citations