methyl cyclohexanecarboxylate (CHEBI:88845)

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ChEBI Name	methyl cyclohexanecarboxylate

ChEBI ID	CHEBI:88845

Definition	A methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol.

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

Supplier Information

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Formula

C8H14O2

Net Charge

Average Mass

142.198

Monoisotopic Mass

142.09938

InChI

InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

ZQWPRMPSCMSAJU-UHFFFAOYSA-N

SMILES

COC(=O)C1CCCCC1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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 cyclohexanecarboxylate (CHEBI:88845) has functional parent cyclohexanecarboxylic acid (CHEBI:36096) methyl cyclohexanecarboxylate (CHEBI:88845) has role flavouring agent (CHEBI:35617) methyl cyclohexanecarboxylate (CHEBI:88845) has role human metabolite (CHEBI:77746) methyl cyclohexanecarboxylate (CHEBI:88845) is a methyl ester (CHEBI:25248) methyl cyclohexanecarboxylate (CHEBI:88845) is a volatile organic compound (CHEBI:134179)

IUPAC Name

methyl cyclohexanecarboxylate

Synonyms	Sources
cyclohexanecarboxylic acid methyl ester	ChEBI
cyclohexanecarboxylic acid, methyl ester	ChemIDplus
FEMA 3568	ChemIDplus
hexahydrobenzoic acid methyl ester	ChemIDplus
methyl cyclohexanoate	ChemIDplus
methyl cyclohexylcarboxylate	ChemIDplus
methyl cyclohexylformate	ChemIDplus
methyl ester of cyclohexanecarboxylic acid	HMDB
methyl hexahydrobenzoate	ChemIDplus

Citation	Type	Source
23454028	PubMed citation	Europe PMC

Last Modified

05 March 2021