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

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ChEBI Name 3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside
ChEBI ID CHEBI:145046
ChEBI ASCII Name 3beta-hydroxy-16alpha,17alpha-epoxypregnenolone 3-beta-D-glucoside
Definition An 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steroid that is 3β-hydroxypregnenolone 3-β-D-glucoside in which the hydrogens at the 16alpha and 17alpha positions have been replaced by the oxygen of the epoxide ring.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C27H40O8
Net Charge 0
Average Mass 492.609
Monoisotopic Mass 492.27232
InChI InChI=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
InChIKey SQOBYKQKYDLAPW-JTUWGOFYSA-N
SMILES C1[C@@]2([C@]3(CC[C@]4(C)[C@@]5(C(C)=O)[C@@H](C[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)[H])[H])O5)[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 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
Synonym Source
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside UniProt
Citation Waiting for Citations Type Source
25888493 PubMed citation SUBMITTER
Last Modified
31 October 2019