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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:34496 - 9(
S
)-HODE
Main
ChEBI Ontology
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ChEBI Name
9(
S
)-HODE
ChEBI ID
CHEBI:34496
ChEBI ASCII Name
9(S)-HODE
Definition
A 9-HODE in which the 9-hydroxy group has
S
-stereochemistry.
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
296.44490
Monoisotopic Mass
296.23514
InChI
InChI=1S/C18H32O3/c1-
2-
3-
4-
5-
6-
8-
11-
14-
17(19)
15-
12-
9-
7-
10-
13-
16-
18(20)
21/h6,8,11,14,17,19H,2-
5,7,9-
10,12-
13,15-
16H2,1H3,(H,20,21)
/b8-
6-
,14-
11+/t17-
/m1/s1
InChIKey
NPDSHTNEKLQQIJ-UINYOVNOSA-N
SMILES
CCCCC\C=C/C=C/[C@@H](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):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
9-HODE
)
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
9-HODE
)
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
9-HODE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
9(
S
)-HODE (
CHEBI:34496
)
is a
9-HODE (
CHEBI:72651
)
9(
S
)-HODE (
CHEBI:34496
)
is conjugate acid of
9(
S
)-HODE(1−) (
CHEBI:77852
)
9(
S
)-HODE (
CHEBI:34496
)
is enantiomer of
9(
R
)-HODE (
CHEBI:78730
)
Incoming
9(
S
)-HODE(1−) (
CHEBI:77852
)
is conjugate base of
9(
S
)-HODE (
CHEBI:34496
)
9(
R
)-HODE (
CHEBI:78730
)
is enantiomer of
9(
S
)-HODE (
CHEBI:34496
)
IUPAC Name
(9
S
,10
E
,12
Z
)-9-hydroxyoctadeca-10,12-dienoic acid
Synonyms
Sources
(10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid
KEGG COMPOUND
(9S)-Hydroxyoctadecadienoic acid
KEGG COMPOUND
(9S)-Hydroxyoctadecadinoiec acid
KEGG COMPOUND
9(S)-HODE
KEGG COMPOUND
Manual Xrefs
Databases
9HO
PDBeChem
C14767
KEGG COMPOUND
HMDB0004670
HMDB
LMFA01050278
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1914445
Reaxys Registry Number
Reaxys
73543-67-6
CAS Registry Number
KEGG COMPOUND
Last Modified
23 October 2015