CHEBI:72819 - ethyl sorbate

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ChEBI Name ethyl sorbate
ChEBI ID CHEBI:72819
Definition A fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter SBeisken
Supplier Information
Download Molfile XML SDF
Formula C8H12O2
Net Charge 0
Average Mass 140.17970
Monoisotopic Mass 140.08373
InChI InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3
InChIKey OZZYKXXGCOLLLO-UHFFFAOYSA-N
SMILES [H]C(C)=CC([H])=CC(=O)OCC
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.
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ChEBI Ontology
Outgoing 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 ester ChEBI
Registry Number Type Source
1362941 Reaxys Registry Number Reaxys
Last Modified
28 August 2015