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CHEBI:72819 - ethyl sorbate

ChEBI IDCHEBI:72819
ChEBI Nameethyl sorbate
Stars
DefinitionA fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol.
Last Modified28 August 2015
SubmitterSBeisken
DownloadsMolfile
FormulaC8H12O2
Net Charge0
Average Mass140.182
Monoisotopic Mass140.08373
SMILES[H]C(C)=CC([H])=CC(=O)OCC
InChIInChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3
InChIKeyOZZYKXXGCOLLLO-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ethyl sorbate (CHEBI:72819) has functional parent sorbic acid (CHEBI:35962)
ethyl sorbate (CHEBI:72819) has role metabolite (CHEBI:25212)
ethyl sorbate (CHEBI:72819) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl hexa-2,4-dienoate
Synonym  Source
2,4-hexadienoic acid, ethyl esterChEBI
Registry NumbersSources
Reaxys:1362941Reaxys