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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:72819 - ethyl sorbate
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ChEBI Ontology
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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
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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.
View more via ChEBI Ontology
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