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ChEBI
> Main
CHEBI:90850 - 13(
S
)-HODE(1−)
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ChEBI Name
13(
S
)-HODE(1−)
ChEBI ID
CHEBI:90850
ChEBI ASCII Name
13(S)-HODE(1-)
Definition
A hydroxy fatty acid anion that is the conjugate base of 13(
S
)-HODE, 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
C18H31O3
Net Charge
-1
Average Mass
295.438
Monoisotopic Mass
295.22787
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)
/p-
1/b9-
7-
,15-
12+/t17-
/m0/s1
InChIKey
HNICUWMFWZBIFP-IRQZEAMPSA-M
SMILES
C(CCCCCCC\C=C/C=C/[C@H](CCCCC)O)(=O)[O-]
ChEBI Ontology
Outgoing
13(
S
)-HODE(1−) (
CHEBI:90850
)
is a
13-HODE(1−) (
CHEBI:133819
)
13(
S
)-HODE(1−) (
CHEBI:90850
)
is conjugate base of
13(
S
)-HODE (
CHEBI:34154
)
13(
S
)-HODE(1−) (
CHEBI:90850
)
is enantiomer of
13(
R
)-HODE(1−) (
CHEBI:136655
)
Incoming
13(
S
)-HODE (
CHEBI:34154
)
is conjugate acid of
13(
S
)-HODE(1−) (
CHEBI:90850
)
13(
R
)-HODE(1−) (
CHEBI:136655
)
is enantiomer of
13(
S
)-HODE(1−) (
CHEBI:90850
)
IUPAC Name
(9
Z
,11
E
,13
S
)-13-hydroxyoctadeca-9,11-dienoate
Synonyms
Sources
(13
S
)-hydroxy-(9
Z
,11
E
)-octadecadienoate
UniProt
(13
S
)-hydroxy-(9
Z
,11
E
)-octadecadienoate
ChEBI
Last Modified
01 March 2017