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CHEBI:77869 - (E,E)-sorbate

ChEBI IDCHEBI:77869
ChEBI Name(E,E)-sorbate
Stars
ASCII Name(E,E)-sorbate
DefinitionA sorbate obtained by deprotonation of the carboxy group of (E,E)-sorbic acid.
Last Modified21 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC6H7O2
Net Charge-1
Average Mass111.120
Monoisotopic Mass111.04515
SMILESC/C=C/C=C/C(=O)[O-]
InChIInChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/p-1/b3-2+,5-4+
InChIKeyWSWCOQWTEOXDQX-MQQKCMAXSA-M
ChEBI Ontology
Outgoing Relation(s)
(E,E)-sorbate (CHEBI:77869) is a sorbate (CHEBI:36550)
(E,E)-sorbate (CHEBI:77869) is conjugate base of (2E,4E)-hexa-2,4-dienoic acid (CHEBI:38358)
Incoming Relation(s)
potassium sorbate (CHEBI:77868) has part (E,E)-sorbate (CHEBI:77869)
(2E,4E)-hexa-2,4-dienoic acid (CHEBI:38358) is conjugate acid of (E,E)-sorbate (CHEBI:77869)
IUPAC Name 
(2E,4E)-hexa-2,4-dienoate
Synonyms  Source
(E,E)-2,4-hexadienoateChEBI
trans,trans-sorbateChEBI
trans,trans-2,4-hexadienoateChEBI
UniProt Name  Source
(E,E)-sorbateUniProt
Registry NumbersSources
Reaxys:4797560Reaxys