CHEBI:145045 - 3β-hydroxy-16α,17α-epoxypregnenolone

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ChEBI Name 3β-hydroxy-16α,17α-epoxypregnenolone
ChEBI ID CHEBI:145045
ChEBI ASCII Name 3beta-hydroxy-16alpha,17alpha-epoxypregnenolone
Definition An epoxy steroid that is pregnenolone which has an epoxy group whose oxygen is attached to the 16α and 17α-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C21H30O3
Net Charge 0
Average Mass 330.468
Monoisotopic Mass 330.21949
InChI InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
InChIKey UQVIXFCYKBWZPJ-XXHSLLPRSA-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)[H])[H])O5)[H])C
ChEBI Ontology
Outgoing 3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a 20-oxo steroid (CHEBI:36885)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a C21-steroid (CHEBI:61313)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a epoxy steroid (CHEBI:145217)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a sterol (CHEBI:15889)
Incoming 3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside (CHEBI:145046) has functional parent 3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045)
IUPAC Name
3β-hydroxy-16α-16,17-epoxypregn-5-en-20-one
Synonyms Sources
(3β,16α)-16,17-epoxy-3-hydroxy-pregn-5-en-20-one ChemIDplus
16-α,17-α-epoxy-3-β-hydroxypregn-5-en-20-one ChemIDplus
16α,17α-epoxy-3β-hydroxy-5-pregnen-20-one ChemIDplus
16α,17α-epoxypregnenolone ChemIDplus
16α,17α-oxidopregnenolone ChemIDplus
3β-hydroxy-16α,17α-epoxy-5-pregnen-20-one ChemIDplus
3β-hydroxy-16α,17α-epoxypregnenolone UniProt
5-pregnen-16α,17α-epoxy-3β-ol-20-one ChemIDplus
Registry Number Type Source
974-23-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12357798 PubMed citation Europe PMC
25888493 PubMed citation SUBMITTER
Last Modified
29 October 2019