4,6-dioxoheptanoic acid (CHEBI:87897)

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ChEBI Name	4,6-dioxoheptanoic acid

ChEBI ID	CHEBI:87897

Definition	A dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia.

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

Secondary ChEBI IDs	CHEBI:45625

Supplier Information

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Formula

C7H10O4

Net Charge

Average Mass

158.152

Monoisotopic Mass

158.05791

InChI

InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)

InChIKey

WYEPBHZLDUPIOD-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in amniotic fluid (BTO:0000068). See: PubMed
Homo sapiens (NCBI:txid9606)	See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	See: PubMed

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):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	4,6-dioxoheptanoic acid (CHEBI:87897) has role human metabolite (CHEBI:77746) 4,6-dioxoheptanoic acid (CHEBI:87897) is a β-diketone (CHEBI:67265) 4,6-dioxoheptanoic acid (CHEBI:87897) is a dioxo monocarboxylic acid (CHEBI:35951)

IUPAC Name

4,6-dioxoheptanoic acid

Synonym	Source
succinylacetone	ChemIDplus

Last Modified

06 April 2016