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ChEBI
> Main
CHEBI:86329 - (9
E
)-9-nitrooctadecenoic acid
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ChEBI Name
(9
E
)-9-nitrooctadecenoic acid
ChEBI ID
CHEBI:86329
ChEBI ASCII Name
(9E)-9-nitrooctadecenoic acid
Definition
A nitro fatty acid that is (9
E
)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 9.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H33NO4
Net Charge
0
Average Mass
327.45890
Monoisotopic Mass
327.24096
InChI
InChI=1S/C18H33NO4/c1-
2-
3-
4-
5-
6-
8-
11-
14-
17(19(22)
23)
15-
12-
9-
7-
10-
13-
16-
18(20)
21/h14H,2-
13,15-
16H2,1H3,(H,20,21)
/b17-
14+
InChIKey
CQOAKBVRRVHWKV-SAPNQHFASA-N
SMILES
CCCCCCCC\C=C(/CCCCCCCC(O)=O)[N+]([O-])=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
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 metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(9
E
)-9-nitrooctadecenoic acid (
CHEBI:86329
)
has functional parent
elaidic acid (
CHEBI:27997
)
(9
E
)-9-nitrooctadecenoic acid (
CHEBI:86329
)
has role
human metabolite (
CHEBI:77746
)
(9
E
)-9-nitrooctadecenoic acid (
CHEBI:86329
)
is a
long-chain fatty acid (
CHEBI:15904
)
(9
E
)-9-nitrooctadecenoic acid (
CHEBI:86329
)
is a
monounsaturated fatty acid (
CHEBI:25413
)
(9
E
)-9-nitrooctadecenoic acid (
CHEBI:86329
)
is a
nitro fatty acid (
CHEBI:86286
)
IUPAC Name
(9
E
)-9-nitrooctadec-9-enoic acid
Synonyms
Sources
(
E
)-9-nitrooctadec-9-enoic acid
ChEBI
9-nitro-9E-octadecenoic acid
LIPID MAPS
Manual Xref
Database
LMFA01120004
LIPID MAPS
View more database links
Registry Number
Type
Source
10378656
Reaxys Registry Number
Reaxys
Citation
Type
Source
25502724
PubMed citation
Europe PMC
Last Modified
22 January 2016