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CHEBI:87999 - 3,5-dioxooctanedioic acid

ChEBI IDCHEBI:87999
ChEBI Name3,5-dioxooctanedioic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is suberic acid which oxo groups replace the hydrogens at positions 3 and 5. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia.
Last Modified23 September 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H10O6
Net Charge0
Average Mass202.162
Monoisotopic Mass202.04774
SMILESO=C(O)CCC(=O)CC(=O)CC(=O)O
InChIInChI=1S/C8H10O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-4H2,(H,11,12)(H,13,14)
InChIKeyOMFWHSRZHVVVAL-UHFFFAOYSA-N
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)
3,5-dioxooctanedioic acid (CHEBI:87999) has role human metabolite (CHEBI:77746)
3,5-dioxooctanedioic acid (CHEBI:87999) is a α,ω-dicarboxylic acid (CHEBI:28383)
3,5-dioxooctanedioic acid (CHEBI:87999) is a β-diketone (CHEBI:67265)
IUPAC Name 
3,5-dioxooctanedioic acid
Synonyms  Source
succinylacetoacetateChemIDplus
succinyl-acetoacetateChemIDplus
3,5-dioxosuberic acidChEBI
Registry NumbersSources
CAS:65115-74-4ChemIDplus
Citations