3-methylheptyl acetate (CHEBI:87326)

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ChEBI Name	3-methylheptyl acetate

ChEBI ID	CHEBI:87326

Definition	The acetate ester of 3-methylheptanol.

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

Supplier Information

Download	Molfile XML SDF

Formula

C10H20O2

Net Charge

Average Mass

172.26460

Monoisotopic Mass

172.14633

InChI

InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3

InChIKey

SFCRZVSQIVWLKR-UHFFFAOYSA-N

SMILES

CCCCC(C)CCOC(C)=O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	3-methylheptyl acetate (CHEBI:87326) has role metabolite (CHEBI:25212) 3-methylheptyl acetate (CHEBI:87326) is a acetate ester (CHEBI:47622)

IUPAC Name

3-methylheptyl acetate

Last Modified

02 September 2015