methyl propenyl ketone (CHEBI:89540)

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ChEBI Name	methyl propenyl ketone

ChEBI ID	CHEBI:89540

Definition	An enone that is pent-2-ene in which the two methylene hydrogens have been replaced by an oxo group.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

C5H8O

Net Charge

Average Mass

84.117

Monoisotopic Mass

84.05751

InChI

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

InChIKey

LABTWGUMFABVFG-UHFFFAOYSA-N

SMILES

O=C(C=CC)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	See: PubMed
Crataegus pinnatifida (NCBI:txid510735)	Found in fruit (BTO:0000486). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Biological Role(s):	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). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

Application(s):	biomarker A substance used as an indicator of a biological state.

ChEBI Ontology
Outgoing	methyl propenyl ketone (CHEBI:89540) has role biomarker (CHEBI:59163) methyl propenyl ketone (CHEBI:89540) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908) methyl propenyl ketone (CHEBI:89540) has role human urinary metabolite (CHEBI:84087) methyl propenyl ketone (CHEBI:89540) has role mouse metabolite (CHEBI:75771) methyl propenyl ketone (CHEBI:89540) has role plant metabolite (CHEBI:76924) methyl propenyl ketone (CHEBI:89540) is a enone (CHEBI:51689)

Incoming	(3E)-pent-3-en-2-one (CHEBI:145276) is a methyl propenyl ketone (CHEBI:89540)

IUPAC Name

pent-3-en-2-one

Last Modified

16 December 2020