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ChEBI
> Main
CHEBI:72815 - 13-oxo-9
E
,11
E
-ODE
Main
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ChEBI Name
13-oxo-9
E
,11
E
-ODE
ChEBI ID
CHEBI:72815
ChEBI ASCII Name
13-oxo-9E,11E-ODE
Definition
An oxooctadecadienoic acid that consists of 9
E
,11
E
-octadecadienoic acid with the oxo substituent located at position 13.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:68948
Supplier Information
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Formula
C18H30O3
Net Charge
0
Average Mass
294.42900
Monoisotopic Mass
294.21949
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)
/b9-
7+,15-
12+
InChIKey
JHXAZBBVQSRKJR-KDFHGORWSA-N
SMILES
CCCCCC(=O)\C=C\C=C\CCCCCCCC(O)=O
Metabolite of Species
Details
Carthamus oxyacantha
(NCBI:txid122010)
Found in aerial part
(BTO:0001658)
. Crude ethanolic extract of aerial parts See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
oxooctadecadienoic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13-oxo-9
E
,11
E
-ODE (
CHEBI:72815
)
has role
metabolite (
CHEBI:25212
)
13-oxo-9
E
,11
E
-ODE (
CHEBI:72815
)
is a
13-oxo-9,11-octadecadienoic acid (
CHEBI:136531
)
13-oxo-9
E
,11
E
-ODE (
CHEBI:72815
)
is a
oxo fatty acid (
CHEBI:59644
)
IUPAC Name
(9
E
,11
E
)-13-oxooctadeca-9,11-dienoic acid
Synonym
Source
13-OxoODE
LIPID MAPS
Manual Xref
Database
LMFA02000252
LIPID MAPS
View more database links
Registry Number
Type
Source
7688957
Reaxys Registry Number
Reaxys
Last Modified
13 March 2017
General Comment
2014-10-17
Suggested Classification: ISA:long-chain fatty acid(CHEBI:15904); ISA:unsaturated fatty acid(CHEBI:27208); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:olefinic compound(CHEBI:78840); HFP:acrylic acid(CHEBI:18308); ISA:ketone(CHEBI:17087); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384);