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CHEBI:90823 - 13-HPODE(1−)
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ChEBI Name
13-HPODE(1−)
ChEBI ID
CHEBI:90823
ChEBI ASCII Name
13-HPODE(1-)
Definition
A hydroperoxy fatty acid anion that is the conjugate base of 13-HPODE 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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Formula
C18H31O4
Net Charge
-1
Average Mass
311.443
Monoisotopic Mass
311.22278
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)
/p-
1/b9-
7-
,15-
12+
InChIKey
JDSRHVWSAMTSSN-BSZOFBHHSA-M
SMILES
CCCCCC(OO)\C=C\C=C/CCCCCCCC([O-])=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13-HPODE(1−) (
CHEBI:90823
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
13-HPODE(1−) (
CHEBI:90823
)
is a
HPODE(1−) (
CHEBI:131862
)
13-HPODE(1−) (
CHEBI:90823
)
is conjugate base of
13-HPODE (
CHEBI:91272
)
Incoming
13(
R
)-HPODE(1−) (
CHEBI:133985
)
is a
13-HPODE(1−) (
CHEBI:90823
)
13(
S
)-HPODE(1−) (
CHEBI:57466
)
is a
13-HPODE(1−) (
CHEBI:90823
)
13-HPODE (
CHEBI:91272
)
is conjugate acid of
13-HPODE(1−) (
CHEBI:90823
)
IUPAC Name
(9
Z
,11
E
)-13-hydroperoxyoctadeca-9,11-dienoate
Synonym
Source
13-hydroperoxy-(9
Z
,11
E
)-octadecadienoate
UniProt
Citation
Type
Source
10542053
PubMed citation
SUBMITTER
Last Modified
09 September 2024