methyl hexanoate (CHEBI:77322)

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ChEBI Name	methyl hexanoate

ChEBI ID	CHEBI:77322

Definition	A fatty acid methyl ester derived from hexanoic (caproic acid).

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

Supplier Information

Download	Molfile XML SDF

Formula

C7H14O2

Net Charge

Average Mass

130.18490

Monoisotopic Mass

130.09938

InChI

InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

InChIKey

NUKZAGXMHTUAFE-UHFFFAOYSA-N

SMILES

CCCCCC(=O)OC

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

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

ChEBI Ontology
Outgoing	methyl hexanoate (CHEBI:77322) has role flavouring agent (CHEBI:35617) methyl hexanoate (CHEBI:77322) has role plant metabolite (CHEBI:76924) methyl hexanoate (CHEBI:77322) is a fatty acid methyl ester (CHEBI:4986) methyl hexanoate (CHEBI:77322) is a hexanoate ester (CHEBI:87656)

Incoming	methyl 6-(pentacyclo[6.4.0.0^2,7.0^3,6.0^9,12]dodec-4-yl)hexanoate (CHEBI:132929) has functional parent methyl hexanoate (CHEBI:77322)

IUPAC Name

methyl hexanoate

Last Modified

23 October 2015