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> Main
CHEBI:183807 - 7-ketopregnenolone
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ChEBI Name
7-ketopregnenolone
ChEBI ID
CHEBI:183807
Definition
A 3β-hydroxy-Δ
5
-steroid that is pregnenolone carrying an oxo group at position 7.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
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)
15-
4-
5-
16-
19-
17(7-
9-
21(15,16)
3)
20(2)
8-
6-
14(23)
10-
13(20)
11-
18(19)
24/h11,14-
17,19,23H,4-
10H2,1-
3H3/t14-
,15+,16-
,17-
,19-
,20-
,21+/m0/s1
InChIKey
WNHLZNUVEVVTSY-GVQHXQKQSA-N
SMILES
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C=C2C[C@@H](O)CC[C@]12C
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7-ketopregnenolone (
CHEBI:183807
)
has functional parent
pregnenolone (
CHEBI:16581
)
7-ketopregnenolone (
CHEBI:183807
)
has role
bacterial metabolite (
CHEBI:76969
)
7-ketopregnenolone (
CHEBI:183807
)
is a
20-oxo steroid (
CHEBI:36885
)
7-ketopregnenolone (
CHEBI:183807
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
7-ketopregnenolone (
CHEBI:183807
)
is a
7-oxo steroid (
CHEBI:47789
)
7-ketopregnenolone (
CHEBI:183807
)
is a
C
21
-steroid (
CHEBI:61313
)
IUPAC Name
3β-hydroxypregn-5-ene-7,20-dione
Synonyms
Sources
3β-hydroxy-5-pregnen-7,20-dione
SUBMITTER
3β-hydroxy-5-pregnene-7,20-dione
ChEBI
5-pregnen-3β-ol-7,20-dione
ChEBI
7-oxopregnenolone
ChEBI
7-oxopregnenolone
UniProt
Manual Xref
Database
118938
ChemSpider
View more database links
Registry Number
Type
Source
33530-84-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11226835
PubMed citation
Europe PMC
17593962
PubMed citation
SUBMITTER
23899562
PubMed citation
Europe PMC
4118678
PubMed citation
Europe PMC
Last Modified
17 November 2021