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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:77869 - (
E
,
E
)-sorbate
Main
ChEBI Ontology
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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.
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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
(2
E
,4
E
)-hexa-2,4-dienoic acid (
CHEBI:38358
)
Incoming
potassium sorbate (
CHEBI:77868
)
has part
(
E
,
E
)-sorbate (
CHEBI:77869
)
(2
E
,4
E
)-hexa-2,4-dienoic acid (
CHEBI:38358
)
is conjugate acid of
(
E
,
E
)-sorbate (
CHEBI:77869
)
IUPAC Name
(2
E
,4
E
)-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