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ChEBI
> Main
CHEBI:72639 - 13-HODE
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ChEBI Ontology
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ChEBI Name
13-HODE
ChEBI ID
CHEBI:72639
Definition
A HODE that consists of 9
Z
,11
E
-octadecadienoic acid carrying a 13-hydroxy substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C18H32O3
Net Charge
0
Average Mass
296.446
Monoisotopic Mass
296.23514
InChI
InChI=1S/C18H32O3/c1-
2-
3-
11-
14-
17(19)
15-
12-
9-
7-
5-
4-
6-
8-
10-
13-
16-
18(20)
21/h7,9,12,15,17,19H,2-
6,8,10-
11,13-
14,16H2,1H3,(H,20,21)
/b9-
7-
,15-
12+
InChIKey
HNICUWMFWZBIFP-BSZOFBHHSA-N
SMILES
C(CCCCCCC/C=C\C=C\C(CCCCC)O)(=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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13-HODE (
CHEBI:72639
)
has role
metabolite (
CHEBI:25212
)
13-HODE (
CHEBI:72639
)
is a
HODE (
CHEBI:36328
)
13-HODE (
CHEBI:72639
)
is conjugate acid of
13-HODE(1−) (
CHEBI:133819
)
Incoming
13-oxo-9
Z
,11
E
-ODE (
CHEBI:68947
)
has functional parent
13-HODE (
CHEBI:72639
)
13(
R
)-HODE (
CHEBI:137495
)
is a
13-HODE (
CHEBI:72639
)
13-HODE(1−) (
CHEBI:133819
)
is conjugate base of
13-HODE (
CHEBI:72639
)
IUPAC Name
(9
Z
,11
E
)-13-hydroxyoctadeca-9,11-dienoic acid
Synonyms
Sources
13-hydroxy-9
Z
,11
E
-octadecadienoic acid
LIPID MAPS
13-hydroxy-cis-9,trans-11-octadecadienoic acid
LIPID MAPS
Coriolic acid
LIPID MAPS
Manual Xref
Database
LMFA02000154
LIPID MAPS
View more database links
Registry Number
Type
Source
1913985
Reaxys Registry Number
Reaxys
Last Modified
22 June 2017