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ChEBI
> Main
CHEBI:72843 - 9-oxo-10
E
,12
E
-ODE
Main
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ChEBI Name
9-oxo-10
E
,12
E
-ODE
ChEBI ID
CHEBI:72843
ChEBI ASCII Name
9-oxo-10E,12E-ODE
Definition
An oxooctadecadienoic acid that consists of 10
E
,12
E
-octadecadienoic acid with the oxo substituent located at position 9.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H30O3
Net Charge
0
Average Mass
294.42900
Monoisotopic Mass
294.21949
InChI
InChI=1S/C18H30O3/c1-
2-
3-
4-
5-
6-
8-
11-
14-
17(19)
15-
12-
9-
7-
10-
13-
16-
18(20)
21/h6,8,11,14H,2-
5,7,9-
10,12-
13,15-
16H2,1H3,(H,20,21)
/b8-
6+,14-
11+
InChIKey
LUZSWWYKKLTDHU-SIGMCMEVSA-N
SMILES
CCCCC\C=C\C=C\C(=O)CCCCCCCC(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
)
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
9-oxo-10
E
,12
E
-ODE (
CHEBI:72843
)
has role
metabolite (
CHEBI:25212
)
9-oxo-10
E
,12
E
-ODE (
CHEBI:72843
)
is a
enone (
CHEBI:51689
)
9-oxo-10
E
,12
E
-ODE (
CHEBI:72843
)
is a
oxooctadecadienoic acid (
CHEBI:72812
)
IUPAC Name
(10
E
,12
E
)-9-oxooctadeca-10,12-dienoic acid
Synonym
Source
9-OxoODE
LIPID MAPS
Manual Xref
Database
LMFA02000251
LIPID MAPS
View more database links
Registry Number
Type
Source
7643217
Reaxys Registry Number
Reaxys
Last Modified
17 April 2013