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ChEBI
> Main
CHEBI:78040 - 13(
S
)-HPODE methyl ester
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ChEBI Ontology
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ChEBI Name
13(
S
)-HPODE methyl ester
ChEBI ID
CHEBI:78040
ChEBI ASCII Name
13(S)-HPODE methyl ester
Definition
A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 13(
S
)-HPODE with methanol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
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Formula
C19H34O4
Net Charge
0
Average Mass
326.47090
Monoisotopic Mass
326.24571
InChI
InChI=1S/C19H34O4/c1-
3-
4-
12-
15-
18(23-
21)
16-
13-
10-
8-
6-
5-
7-
9-
11-
14-
17-
19(20)
22-
2/h8,10,13,16,18,21H,3-
7,9,11-
12,14-
15,17H2,1-
2H3/b10-
8-
,16-
13+/t18-
/m0/s1
InChIKey
WWBBEXJQOOTEIL-QGWXGPBYSA-N
SMILES
CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC(=O)OC
ChEBI Ontology
Outgoing
13(
S
)-HPODE methyl ester (
CHEBI:78040
)
has functional parent
13(
S
)-HPODE (
CHEBI:15655
)
13(
S
)-HPODE methyl ester (
CHEBI:78040
)
has functional parent
methyl linoleate (
CHEBI:69080
)
13(
S
)-HPODE methyl ester (
CHEBI:78040
)
is a
fatty acid methyl ester (
CHEBI:4986
)
IUPAC Name
methyl (9
Z
,11
E
,13
S
)-13-hydroperoxyoctadeca-9,11-dienoate
Synonyms
Sources
1-
O
-methyl-(13
S
)-hydroperoxy-(9
Z
,11
E
)-octadecadienoate
UniProt
methyl (9
Z
,11
E
,13
S
)-hydroperoxyoctadecadienoate
SUBMITTER
Registry Number
Type
Source
3555053
Reaxys Registry Number
Reaxys
Last Modified
28 October 2019