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CHEBI:87897 - 4,6-dioxoheptanoic acid

ChEBI IDCHEBI:87897
ChEBI Name4,6-dioxoheptanoic acid
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:45625
Last Modified6 April 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H10O4
Net Charge0
Average Mass158.153
Monoisotopic Mass158.05791
SMILESCC(=O)CC(=O)CCC(=O)O
InChIInChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyWYEPBHZLDUPIOD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (24023812)
amniotic fluid (BTO:0000068) PubMed (16414314)
blood (UBERON:0000178) PubMed (17133337)
- PubMed (24023812)
- MetaboLights (MTBLS101)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4,6-dioxoheptanoic acid (CHEBI:87897) has role human metabolite (CHEBI:77746)
4,6-dioxoheptanoic acid (CHEBI:87897) is a dioxo monocarboxylic acid (CHEBI:35951)
4,6-dioxoheptanoic acid (CHEBI:87897) is a β-diketone (CHEBI:67265)
IUPAC Name 
4,6-dioxoheptanoic acid
Synonym  Source
succinylacetoneChemIDplus
Manual XrefsDatabases
SHUPDBeChem
HMDB0000635HMDB
US2011201539Patent
Registry NumbersSources
Reaxys:2436097Reaxys
CAS:51568-18-4ChemIDplus
Citations