hexyl heptanoate (CHEBI:172781)

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ChEBI Name	hexyl heptanoate

ChEBI ID	CHEBI:172781

Definition	A heptanoate ester obtained by the formal condensation of the carboxy group of heptanoic acid (enanthic acid) with hexan-1-ol.

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

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Formula

C13H26O2

Net Charge

Average Mass

214.349

Monoisotopic Mass

214.19328

InChI

InChI=1S/C13H26O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey

IFOGOHVJHKKYCT-UHFFFAOYSA-N

SMILES

CCCCCCOC(=O)CCCCCC

Metabolite of Species	Details
Angelica purpurascens (NCBI:txid62993)	Present in trace amounts. See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study
Proteles cristata (NCBI:txid968)	Identified in the anal gland secretion. 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. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

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

ChEBI Ontology
Outgoing	hexyl heptanoate (CHEBI:172781) has functional parent hexan-1-ol (CHEBI:87393) hexyl heptanoate (CHEBI:172781) has role flavouring agent (CHEBI:35617) hexyl heptanoate (CHEBI:172781) has role human metabolite (CHEBI:77746) hexyl heptanoate (CHEBI:172781) has role volatile oil component (CHEBI:27311) hexyl heptanoate (CHEBI:172781) is a heptanoate ester (CHEBI:50898)

IUPAC Name

hexyl heptanoate

Last Modified

16 September 2021