4,7-dioxooctanoic acid (CHEBI:73742)

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ChEBI Name	4,7-dioxooctanoic acid

ChEBI ID	CHEBI:73742

Definition	A dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H12O4

Net Charge

Average Mass

172.17850

Monoisotopic Mass

172.07356

InChI

InChI=1S/C8H12O4/c1-6(9)2-3-7(10)4-5-8(11)12/h2-5H2,1H3,(H,11,12)

InChIKey

PTSAPRTVUVUNGB-UHFFFAOYSA-N

SMILES

CC(=O)CCC(=O)CCC(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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 acid	ChEBI

Registry Number	Type	Source
1773787	Reaxys Registry Number	Reaxys

Last Modified

12 September 2013