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CHEBI:168416 - 9-tridecynoic acid

ChEBI IDCHEBI:168416
ChEBI Name9-tridecynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O2
Net Charge0
Average Mass210.317
Monoisotopic Mass210.16198
SMILESCCCC#CCCCCCCCC(=O)O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-3,6-12H2,1H3,(H,14,15)
InChIKeyIRTOCVRQBHTLDD-UHFFFAOYSA-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)
9-tridecynoic acid (CHEBI:168416) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
tridec-9-ynoic acid
Manual XrefsDatabases
4472148ChemSpider
LMFA01030602LIPID MAPS