7-ketopregnenolone (CHEBI:183807)

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CHEBI:183807 - 7-ketopregnenolone

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ChEBI ID	CHEBI:183807
ChEBI Name	7-ketopregnenolone
Stars
Definition	A 3β-hydroxy-Δ⁵-steroid that is pregnenolone carrying an oxo group at position 7.
Last Modified	17 November 2021
Submitter	laimo
Downloads	Molfile

Formula	C21H30O3
Net Charge	0
Average Mass	330.468
Monoisotopic Mass	330.21949
SMILES	[H][C@]12CC[C@]3(C)[C@@H](C(C)=O)CC[C@@]3([H])[C@]1([H])C(=O)C=C1C[C@@H](O)CC[C@@]12C
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

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
3β-hydroxy-5-pregnen-7,20-dione	SUBMITTER
7-oxopregnenolone	ChEBI
5-pregnen-3β-ol-7,20-dione	ChEBI
3β-hydroxy-5-pregnene-7,20-dione	ChEBI

UniProt Name	Source
7-oxopregnenolone	UniProt

Manual Xrefs	Databases
118938	ChemSpider

Registry Numbers	Sources
CAS:33530-84-6	ChemIDplus

Citations