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> Main
CHEBI:91272 - 13-HPODE
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ChEBI Name
13-HPODE
ChEBI ID
CHEBI:91272
Definition
An HPODE (hydroperoxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (
E
and
Z
geometry, respectively) and the hydroperoxy group is at position 13.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H32O4
Net Charge
0
Average Mass
312.445
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+
InChIKey
JDSRHVWSAMTSSN-BSZOFBHHSA-N
SMILES
C(CCCCCCC/C=C\C=C\C(CCCCC)OO)(=O)O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
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 xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13-HPODE (
CHEBI:91272
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
13-HPODE (
CHEBI:91272
)
is a
HPODE (
CHEBI:36329
)
13-HPODE (
CHEBI:91272
)
is conjugate acid of
13-HPODE(1−) (
CHEBI:90823
)
Incoming
(13
R
)-HPODE (
CHEBI:39573
)
is a
13-HPODE (
CHEBI:91272
)
13(
S
)-HPODE (
CHEBI:15655
)
is a
13-HPODE (
CHEBI:91272
)
13-HPODE(1−) (
CHEBI:90823
)
is conjugate base of
13-HPODE (
CHEBI:91272
)
IUPAC Name
(9
Z
,11
E
)-13-hydroperoxyoctadeca-9,11-dienoic acid
Synonyms
Sources
13-Hpod
ChemIDplus
13-hydroperoxy-(9
Z
,11
E
)-octadecadienoic acid
ChEBI
13-Hydroperoxy-9,11-octadecadienoic acid
ChemIDplus
13-Hydroperoxyoctadeca-cis-9,trans-11-dienoic acid
ChemIDplus
Registry Numbers
Types
Sources
23017-93-8
CAS Registry Number
ChemIDplus
2334490
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10542053
PubMed citation
Europe PMC
23680403
PubMed citation
Europe PMC
26111765
PubMed citation
Europe PMC
Last Modified
20 March 2017