Tetranor-5-NO2-CLA (CHEBI:186801)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Tetranor-5-NO2-CLA

ChEBI ID	CHEBI:186801

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H23NO4

Net Charge

Average Mass

269.341

Monoisotopic Mass

269.16271

InChI

InChI=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+

InChIKey

WBHKJNXCKZWPFQ-AWGJLQHSSA-N

SMILES

OC(=O)CCC/C(/[N+]([O-])=O)=C\C=C\CCCCCC

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Tetranor-5-NO2-CLA (CHEBI:186801) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(5E,7E)-5-nitrotetradeca-5,7-dienoic acid