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CHEBI:186801 - Tetranor-5-NO2-CLA

ChEBI IDCHEBI:186801
ChEBI NameTetranor-5-NO2-CLA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23NO4
Net Charge0
Average Mass269.341
Monoisotopic Mass269.16271
SMILESCCCCCC/C=C/C=C(\CCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-10-13(15(18)19)11-9-12-14(16)17/h7-8,10H,2-6,9,11-12H2,1H3,(H,16,17)/b8-7+,13-10+
InChIKeyWBHKJNXCKZWPFQ-AWGJLQHSSA-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)
Tetranor-5-NO2-CLA (CHEBI:186801) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5E,7E)-5-nitrotetradeca-5,7-dienoic acid
Manual XrefsDatabases
113368360ChemSpider
LMFA01120010LIPID MAPS