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CHEBI:187079 - Dinor-7-NO2-CLA

ChEBI IDCHEBI:187079
ChEBI NameDinor-7-NO2-CLA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27NO4
Net Charge0
Average Mass297.395
Monoisotopic Mass297.19401
SMILESCCCCCC/C=C/C=C(\CCCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C16H27NO4/c1-2-3-4-5-6-7-9-12-15(17(20)21)13-10-8-11-14-16(18)19/h7,9,12H,2-6,8,10-11,13-14H2,1H3,(H,18,19)/b9-7+,15-12+
InChIKeyLQLPBMSWEIRISV-KDFHGORWSA-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)
Dinor-7-NO2-CLA (CHEBI:187079) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(7E,9E)-7-nitrohexadeca-7,9-dienoic acid
Manual XrefsDatabases
113368357ChemSpider
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