13-Oxo-9,11-tridecadienoic acid (CHEBI:169546)

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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	13-Oxo-9,11-tridecadienoic acid

ChEBI ID	CHEBI:169546

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H20O3

Net Charge

Average Mass

224.300

Monoisotopic Mass

224.14124

InChI

InChI=1S/C13H20O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h4,6,8,10,12H,1-3,5,7,9,11H2,(H,15,16)/b6-4+,10-8+

InChIKey

XHDHWGKEDVWKAN-ONNLMXTPSA-N

SMILES

OC(=O)CCCCCCC/C=C/C=C/C=O

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	13-Oxo-9,11-tridecadienoic acid (CHEBI:169546) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(9E,11E)-13-oxotrideca-9,11-dienoic acid