7-oxo-11E,13-Tetradecadienoic acid (CHEBI:168724)

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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	7-oxo-11E,13-Tetradecadienoic acid

ChEBI ID	CHEBI:168724

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O3

Net Charge

Average Mass

238.327

Monoisotopic Mass

238.15689

InChI

InChI=1S/C14H22O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-4H,1,5-12H2,(H,16,17)/b4-3+

InChIKey

UXENOYDVEDGVDV-ONEGZZNKSA-N

SMILES

O=C(CCCCCC(O)=O)CCC/C=C/C=C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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	7-oxo-11E,13-Tetradecadienoic acid (CHEBI:168724) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(11E)-7-oxotetradeca-11,13-dienoic acid