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CHEBI:180338 - 4-keto-n-caprylic acid

ChEBI IDCHEBI:180338
ChEBI Name4-keto-n-caprylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCCCCC(=O)CCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-7(9)5-6-8(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyRITBMTJPNSJVHF-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)
4-keto-n-caprylic acid (CHEBI:180338) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
4-oxooctanoic acid
Manual XrefsDatabases
70392ChemSpider
LMFA01060018LIPID MAPS
Registry NumbersSources
CAS:4316-44-3ChemIDplus