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> Main
CHEBI:145045 - 3β-hydroxy-16α,17α-epoxypregnenolone
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ChEBI Ontology
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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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Molfile
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Molfile
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-Δ
5
-steroid (
CHEBI:1722
)
3β-hydroxy-16α,17α-epoxypregnenolone (
CHEBI:145045
)
is a
C
21
-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
Types
Sources
12357798
PubMed citation
Europe PMC
25888493
PubMed citation
SUBMITTER
Last Modified
29 October 2019