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CHEBI:173668 - 2-oxooctanoic acid

ChEBI IDCHEBI:173668
ChEBI Name2-oxooctanoic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is octanoic acid carrying an oxo group at position 2.
Last Modified5 July 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCCCCCCC(=O)C(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyGPPUPQFYDYLTIY-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
surfactant  A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-oxooctanoic acid (CHEBI:173668) has functional parent octanoic acid (CHEBI:28837)
2-oxooctanoic acid (CHEBI:173668) has role surfactant (CHEBI:35195)
2-oxooctanoic acid (CHEBI:173668) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-oxooctanoic acid (CHEBI:173668) is conjugate acid of 2-oxooctanoate (CHEBI:176689)
Incoming Relation(s)
2-oxooctanoate (CHEBI:176689) is conjugate base of 2-oxooctanoic acid (CHEBI:173668)
IUPAC Name 
2-oxooctanoic acid
Synonyms  Source
2-oxo-octanoic acidLIPID MAPS
2-keto-n-caprylic acidLIPID MAPS
alpha-ketooctanoic acidHMDB
2-oxocaprylic acidChEBI
Manual XrefsDatabases
HMDB0013211HMDB
LMFA01060016LIPID MAPS
60921ChemSpider
FDB029336FooDB
Registry NumbersSources
Reaxys:1757862Reaxys
CAS:328-51-8ChemIDplus
Citations