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> Main
CHEBI:72842 - 9-oxo-ODE
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ChEBI Ontology
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ChEBI Name
9-oxo-ODE
ChEBI ID
CHEBI:72842
Definition
An oxooctadecadienoic acid that consists of (10
E
,12
Z
)-octadecadienoic acid with the oxo substituent located at position 9.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C18H30O3
Net Charge
0
Average Mass
294.430
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-ZJHFMPGASA-N
SMILES
C(=C\C=C\C(CCCCCCCC(O)=O)=O)\CCCCC
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-ODE (
CHEBI:72842
)
has functional parent
9-HODE (
CHEBI:72651
)
9-oxo-ODE (
CHEBI:72842
)
has role
metabolite (
CHEBI:25212
)
9-oxo-ODE (
CHEBI:72842
)
is a
enone (
CHEBI:51689
)
9-oxo-ODE (
CHEBI:72842
)
is a
oxooctadecadienoic acid (
CHEBI:72812
)
9-oxo-ODE (
CHEBI:72842
)
is conjugate acid of
9-oxo-ODE(1−) (
CHEBI:133845
)
Incoming
9-oxo-ODE(1−) (
CHEBI:133845
)
is conjugate base of
9-oxo-ODE (
CHEBI:72842
)
IUPAC Name
(10
E
,12
Z
)-9-oxooctadeca-10,12-dienoic acid
Synonyms
Sources
(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid
KEGG COMPOUND
(10
E
,12
Z
)9-oxo-ODE
ChEBI
(10
E
,12
Z
)9-oxoODE
ChEBI
9-keto-10
E
,12
Z
-octadecadienoic acid
ChEBI
9-KODE
KEGG COMPOUND
9-oxo-10
E
,12
Z
-octadecadienoic acid
LIPID MAPS
9-oxoODE
ChEBI
Manual Xrefs
Databases
C14766
KEGG COMPOUND
HMDB0004669
HMDB
LMFA02000274
LIPID MAPS
View more database links
Registry Number
Type
Source
4318269
Reaxys Registry Number
Reaxys
Last Modified
01 March 2017