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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:35962 - sorbic acid
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ChEBI Name
sorbic acid
ChEBI ID
CHEBI:35962
Definition
A 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.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H8O2
Net Charge
0
Average Mass
112.12652
Monoisotopic Mass
112.05243
InChI
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)
InChIKey
WSWCOQWTEOXDQX-UHFFFAOYSA-N
SMILES
[H]C(C)=CC([H])=CC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sorbic acid (
CHEBI:35962
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
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 conjugate acid of
sorbate (
CHEBI:36550
)
Incoming
(2
E
,4
Z
)-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
)
(2
E
,4
E
)-hexa-2,4-dienoic acid (
CHEBI:38358
)
is a
sorbic acid (
CHEBI:35962
)
(2
E
,4
Z
)-hexa-2,4-dienoic acid (
CHEBI:38361
)
is a
sorbic acid (
CHEBI:35962
)
(2
Z
,4
E
)-hexa-2,4-dienoic acid (
CHEBI:38360
)
is a
sorbic acid (
CHEBI:35962
)
(2
Z
,4
Z
)-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
Sources
(2-butenylidene) acetic acid
ChEBI
2,4-hexadienoic acid
ChemIDplus
2,4-Hexadiensäure
ChEBI
2,4-SA
ChEBI
2-propenylacrylic acid
ChEBI
crotylidene acetic acid
ChEBI
SA
ChEBI
Sorbinsäure
ChEBI
Registry Numbers
Types
Sources
1741831
Beilstein Registry Number
Beilstein
22500-92-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
11206806
PubMed citation
Europe PMC
Last Modified
27 June 2014