(3E)-pent-3-en-2-one (CHEBI:145276)

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ChEBI Name	(3E)-pent-3-en-2-one

ChEBI ID	CHEBI:145276

ChEBI ASCII Name	(3E)-pent-3-en-2-one

Definition	A methyl propenyl ketone in which the double bond has (E)-configuration. It is a key odorant responsible for the chestnut-like aroma in green tea.

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

Submitter	Lucila Aimo

Supplier Information

Download	Molfile XML SDF

Formula

C5H8O

Net Charge

Average Mass

84.118

Monoisotopic Mass

84.05751

InChI

InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+

InChIKey

LABTWGUMFABVFG-ONEGZZNKSA-N

SMILES

O=C(/C=C/C)C

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. (via methyl propenyl ketone ) EC 1.14.13.39 (nitric oxide synthase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39). (via methyl propenyl ketone ) human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. (via methyl propenyl ketone ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via methyl propenyl ketone )

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. biomarker A substance used as an indicator of a biological state. (via methyl propenyl ketone )

ChEBI Ontology
Outgoing	(3E)-pent-3-en-2-one (CHEBI:145276) has role flavouring agent (CHEBI:35617) (3E)-pent-3-en-2-one (CHEBI:145276) has role plant metabolite (CHEBI:76924) (3E)-pent-3-en-2-one (CHEBI:145276) is a methyl propenyl ketone (CHEBI:89540) (3E)-pent-3-en-2-one (CHEBI:145276) is a volatile organic compound (CHEBI:134179)

IUPAC Name

(3E)-pent-3-en-2-one

Last Modified

16 December 2020