CHEBI:183807 - 7-ketopregnenolone

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ChEBI Name 7-ketopregnenolone
ChEBI ID CHEBI:183807
Definition A 3β-hydroxy-Δ5-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.
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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-Δ5-steroid (CHEBI:1722)
7-ketopregnenolone (CHEBI:183807) is a 7-oxo steroid (CHEBI:47789)
7-ketopregnenolone (CHEBI:183807) is a C21-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 Waiting for 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