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ChEBI
> Main
CHEBI:90781 - 13-oxo-9
Z
,11
E
-ODE(1−)
Main
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ChEBI Name
13-oxo-9
Z
,11
E
-ODE(1−)
ChEBI ID
CHEBI:90781
ChEBI ASCII Name
13-oxo-9Z,11E-ODE(1-)
Definition
A polyunsaturated fatty acid anion that is the conjugate base of 13-oxo-9
Z
,11
E
-ODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
AnneNiknejad
Supplier Information
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Molfile
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Molfile
Formula
C18H29O3
Net Charge
-1
Average Mass
293.422
Monoisotopic Mass
293.21222
InChI
InChI=1S/C18H30O3/c1-
2-
3-
11-
14-
17(19)
15-
12-
9-
7-
5-
4-
6-
8-
10-
13-
16-
18(20)
21/h7,9,12,15H,2-
6,8,10-
11,13-
14,16H2,1H3,(H,20,21)
/p-
1/b9-
7-
,15-
12+
InChIKey
JHXAZBBVQSRKJR-BSZOFBHHSA-M
SMILES
C(CCCC([O-])=O)CCC/C=C\C=C\C(CCCCC)=O
ChEBI Ontology
Outgoing
13-oxo-9
Z
,11
E
-ODE(1−) (
CHEBI:90781
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
13-oxo-9
Z
,11
E
-ODE(1−) (
CHEBI:90781
)
is a
oxo fatty acid anion (
CHEBI:59836
)
13-oxo-9
Z
,11
E
-ODE(1−) (
CHEBI:90781
)
is a
oxooctadecadienoate (
CHEBI:133556
)
13-oxo-9
Z
,11
E
-ODE(1−) (
CHEBI:90781
)
is a
polyunsaturated fatty acid anion (
CHEBI:76567
)
13-oxo-9
Z
,11
E
-ODE(1−) (
CHEBI:90781
)
is conjugate base of
13-oxo-9
Z
,11
E
-ODE (
CHEBI:68947
)
Incoming
13-oxo-9
Z
,11
E
-ODE (
CHEBI:68947
)
is conjugate acid of
13-oxo-9
Z
,11
E
-ODE(1−) (
CHEBI:90781
)
IUPAC Name
(9
Z
,11
E
)-13-oxooctadeca-9,11-dienoate
Synonyms
Sources
(9
Z
,11
E
)-13-oxooctadecadienoate
ChEBI
(
Z
,
E
)-13-oxooctadeca-9,11-dienoate
ChEBI
13-oxo-(9
Z
,11
E
)-octadecadienoate
UniProt
Citation
Type
Source
21068195
PubMed citation
SUBMITTER
Last Modified
15 April 2016