CHEBI:77869 - (E,E)-sorbate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E,E)-sorbate
ChEBI ID CHEBI:77869
ChEBI ASCII Name (E,E)-sorbate
Definition A sorbate obtained by deprotonation of the carboxy group of (E,E)-sorbic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H7O2
Net Charge -1
Average Mass 111.11910
Monoisotopic Mass 111.04515
InChI InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/p-1/b3-2+,5-4+
InChIKey WSWCOQWTEOXDQX-MQQKCMAXSA-M
SMILES C\C=C\C=C\C([O-])=O
ChEBI Ontology
Outgoing (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 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 Sources
(E,E)-2,4-hexadienoate ChEBI
(E,E)-sorbate UniProt
trans,trans-2,4-hexadienoate ChEBI
trans,trans-sorbate ChEBI
Registry Number Type Source
4797560 Reaxys Registry Number Reaxys
Last Modified
21 November 2014