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CHEBI:73742 - 4,7-dioxooctanoic acid

ChEBI IDCHEBI:73742
ChEBI Name4,7-dioxooctanoic acid
Stars
DefinitionA dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions.
Last Modified12 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESCC(=O)CCC(=O)CCC(=O)O
InChIInChI=1S/C8H12O4/c1-6(9)2-3-7(10)4-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyPTSAPRTVUVUNGB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4,7-dioxooctanoic acid (CHEBI:73742) has functional parent octanoic acid (CHEBI:28837)
4,7-dioxooctanoic acid (CHEBI:73742) has role metabolite (CHEBI:25212)
4,7-dioxooctanoic acid (CHEBI:73742) is a dioxo monocarboxylic acid (CHEBI:35951)
IUPAC Name 
4,7-dioxooctanoic acid
Synonym  Source
4,7-dioxocaprylic acidChEBI
Manual XrefsDatabases
LMFA01060156LIPID MAPS
Registry NumbersSources
Reaxys:1773787Reaxys