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ChEBI
> Main
CHEBI:15655 - 13(
S
)-HPODE
Main
ChEBI Ontology
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ChEBI Name
13(
S
)-HPODE
ChEBI ID
CHEBI:15655
ChEBI ASCII Name
13(S)-HPODE
Definition
The (
S
)-enantiomer of 13-HPODE
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:18619, CHEBI:39536, CHEBI:264, CHEBI:10941, CHEBI:18620
Supplier Information
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Formula
C18H32O4
Net Charge
0
Average Mass
312.44430
Monoisotopic Mass
312.23006
InChI
InChI=1S/C18H32O4/c1-
2-
3-
11-
14-
17(22-
21)
15-
12-
9-
7-
5-
4-
6-
8-
10-
13-
16-
18(19)
20/h7,9,12,15,17,21H,2-
6,8,10-
11,13-
14,16H2,1H3,(H,19,20)
/b9-
7-
,15-
12+/t17-
/m0/s1
InChIKey
JDSRHVWSAMTSSN-IRQZEAMPSA-N
SMILES
CCCCC[C@H](OO)\C=C\C=C/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):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via
13-HPODE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13(
S
)-HPODE (
CHEBI:15655
)
has functional parent
octadeca-9,11-dienoic acid (
CHEBI:36025
)
13(
S
)-HPODE (
CHEBI:15655
)
has role
human metabolite (
CHEBI:77746
)
13(
S
)-HPODE (
CHEBI:15655
)
is a
13-HPODE (
CHEBI:91272
)
13(
S
)-HPODE (
CHEBI:15655
)
is conjugate acid of
13(
S
)-HPODE(1−) (
CHEBI:57466
)
13(
S
)-HPODE (
CHEBI:15655
)
is enantiomer of
(13
R
)-HPODE (
CHEBI:39573
)
Incoming
13(
S
)-HPODE methyl ester (
CHEBI:78040
)
has functional parent
13(
S
)-HPODE (
CHEBI:15655
)
pinellic acid (
CHEBI:34506
)
has functional parent
13(
S
)-HPODE (
CHEBI:15655
)
13(
S
)-HPODE(1−) (
CHEBI:57466
)
is conjugate base of
13(
S
)-HPODE (
CHEBI:15655
)
(13
R
)-HPODE (
CHEBI:39573
)
is enantiomer of
13(
S
)-HPODE (
CHEBI:15655
)
IUPAC Name
(9
Z
,11
E
,13
S
)-13-hydroperoxyoctadeca-9,11-dienoic acid
Synonyms
Sources
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate
KEGG COMPOUND
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate
KEGG COMPOUND
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid
KEGG COMPOUND
13(S)-HPODE
KEGG COMPOUND
13S-Hydroperoxy-9Z,11E-octadecadienoic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00000394
KNApSAcK
C04717
KEGG COMPOUND
HMDB0003871
HMDB
LMFA02000034
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
33964-75-9
CAS Registry Number
KEGG COMPOUND
3592723
Reaxys Registry Number
Reaxys
Last Modified
10 January 2019