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CHEBI:36550 - sorbate

Default Structure
ChEBI IDCHEBI:36550
ChEBI Namesorbate
Stars
Last Modified21 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H7O2
Net Charge-1
Average Mass111.120
Monoisotopic Mass111.04515
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)/p-1
InChIKeyWSWCOQWTEOXDQX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
sorbate (CHEBI:36550) is a hexadienoate (CHEBI:24554)
sorbate (CHEBI:36550) is conjugate base of sorbic acid (CHEBI:35962)
Incoming Relation(s)
2-hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoate (CHEBI:19327) has functional parent sorbate (CHEBI:36550)
2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoate (CHEBI:36538) has functional parent sorbate (CHEBI:36550)
(E,E)-sorbate (CHEBI:77869) is a sorbate (CHEBI:36550)
sorbic acid (CHEBI:35962) is conjugate acid of sorbate (CHEBI:36550)
IUPAC Name 
hexa-2,4-dienoate
Synonym  Source
hexa-2,4-dienoateChEBI
Registry NumbersSources
Beilstein:3931312Beilstein