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CHEBI:35962 - sorbic acid

ChEBI IDCHEBI:35962
ChEBI Namesorbic acid
Stars
DefinitionA hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring.
Last Modified27 June 2014
DownloadsMolfile
FormulaC6H8O2
Net Charge0
Average Mass112.128
Monoisotopic Mass112.05243
SMILES[H]C(C)=CC([H])=CC(=O)O
InChIInChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)
InChIKeyWSWCOQWTEOXDQX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
sorbic acid (CHEBI:35962) is a hexadienoic acid (CHEBI:24555)
sorbic acid (CHEBI:35962) is a medium-chain fatty acid (CHEBI:59554)
sorbic acid (CHEBI:35962) is a polyunsaturated fatty acid (CHEBI:26208)
sorbic acid (CHEBI:35962) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
sorbic acid (CHEBI:35962) is conjugate acid of sorbate (CHEBI:36550)
Incoming Relation(s)
(2E,4Z)-6-(4-chlorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid (CHEBI:28978) has functional parent sorbic acid (CHEBI:35962)
2-hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoic acid (CHEBI:28990) has functional parent sorbic acid (CHEBI:35962)
2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid (CHEBI:1135) has functional parent sorbic acid (CHEBI:35962)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) has functional parent sorbic acid (CHEBI:35962)
ethyl sorbate (CHEBI:72819) has functional parent sorbic acid (CHEBI:35962)
(2E,4E)-hexa-2,4-dienoic acid (CHEBI:38358) is a sorbic acid (CHEBI:35962)
(2E,4Z)-hexa-2,4-dienoic acid (CHEBI:38361) is a sorbic acid (CHEBI:35962)
(2Z,4E)-hexa-2,4-dienoic acid (CHEBI:38360) is a sorbic acid (CHEBI:35962)
(2Z,4Z)-hexa-2,4-dienoic acid (CHEBI:38359) is a sorbic acid (CHEBI:35962)
sorbate (CHEBI:36550) is conjugate base of sorbic acid (CHEBI:35962)
IUPAC Name 
hexa-2,4-dienoic acid
Synonyms  Source
SorbinsäureChEBI
2,4-HexadiensäureChEBI
2,4-hexadienoic acidChemIDplus
2,4-SAChEBI
2-propenylacrylic acidChEBI
(2-butenylidene) acetic acidChEBI
Registry NumbersSources
Beilstein:1741831Beilstein
CAS:22500-92-1ChemIDplus
Citations