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CHEBI:180339 - 7-keto-n-caprylic acid

ChEBI IDCHEBI:180339
ChEBI Name7-keto-n-caprylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCC(=O)CCCCCC(=O)O
InChIInChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyOSAHCBHKCKPJGI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7-keto-n-caprylic acid (CHEBI:180339) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
7-oxooctanoic acid
Manual XrefsDatabases
24650ChemSpider
LMFA01060021LIPID MAPS
Registry NumbersSources
CAS:14112-98-2ChemIDplus