4-hexen-3-one (CHEBI:89801)

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ChEBI Name	4-hexen-3-one

ChEBI ID	CHEBI:89801

Definition	An enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C6H10O

Net Charge

Average Mass

98.145

Monoisotopic Mass

98.07316

InChI

InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3

InChIKey

FEWIGMWODIRUJM-UHFFFAOYSA-N

SMILES

[H]C(C)=C([H])C(=O)CC

Metabolite of Species	Details
Citrus aurantiifolia (NCBI:txid159033)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	4-hexen-3-one (CHEBI:89801) has role flavouring agent (CHEBI:35617) 4-hexen-3-one (CHEBI:89801) has role human metabolite (CHEBI:77746) 4-hexen-3-one (CHEBI:89801) has role plant metabolite (CHEBI:76924) 4-hexen-3-one (CHEBI:89801) is a enone (CHEBI:51689)

Incoming	(E)-4-hexen-3-one (CHEBI:183229) is a 4-hexen-3-one (CHEBI:89801) (Z)-4-hexen-3-one (CHEBI:183230) is a 4-hexen-3-one (CHEBI:89801)

IUPAC Name

hex-4-en-3-one

Last Modified

04 November 2021