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CHEBI:187237 - 12-NO2-CLA

ChEBI IDCHEBI:187237
ChEBI Name12-NO2-CLA
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H31NO4
Net Charge0
Average Mass325.449
Monoisotopic Mass325.22531
SMILESCCCCCC/C(=C\C=C\CCCCCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,15H,2-8,10-11,13-14,16H2,1H3,(H,20,21)/b12-9+,17-15+
InChIKeyONJKKOVKZYVSIB-VAOWDNLSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12-NO2-CLA (CHEBI:187237) is a nitro fatty acid (CHEBI:86286)
12-NO2-CLA (CHEBI:187237) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name 
(9E,11E)-12-nitrooctadeca-9,11-dienoic acid
Manual XrefsDatabases
LMFA01120006LIPID MAPS
84400482ChemSpider