4-methylheptan-3-one (CHEBI:195232)

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ChEBI Name	4-methylheptan-3-one

ChEBI ID	CHEBI:195232

Definition	A dialkyl ketone that is 4-methylheptane substituted by an oxo group at position 3.

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

Supplier Information

Download	Molfile XML SDF

Formula

C8H16O

Net Charge

Average Mass

128.215

Monoisotopic Mass

128.12012

InChI

InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3

InChIKey

MVLRILUUXLBENA-UHFFFAOYSA-N

SMILES

CCCC(C)C(=O)CC

Metabolite of Species	Details
Eciton burchellii (NCBI:txid213866)	See: DOI
Antilope cervicapra (NCBI:txid59525)	Found in Urine (NCIT:C13283). 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. alarm pheromone A pheromone which is released by an organism when damaged by a predator which warns other individuals that there is a danger. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals.

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

ChEBI Ontology
Outgoing	4-methylheptan-3-one (CHEBI:195232) has role alarm pheromone (CHEBI:72575) 4-methylheptan-3-one (CHEBI:195232) has role flavouring agent (CHEBI:35617) 4-methylheptan-3-one (CHEBI:195232) has role mammalian metabolite (CHEBI:75768) 4-methylheptan-3-one (CHEBI:195232) is a dialkyl ketone (CHEBI:18044)

IUPAC Name

4-methylheptan-3-one

Last Modified

17 May 2023