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

ChEBI IDCHEBI:169546
ChEBI Name13-Oxo-9,11-tridecadienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESO=C/C=C/C=C/CCCCCCCC(=O)O
InChIInChI=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+
InChIKeyXHDHWGKEDVWKAN-ONNLMXTPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
9282135ChemSpider
HMDB0034564HMDB
LMFA01060202LIPID MAPS