CHEBI:87999 - 3,5-dioxooctanedioic acid

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ChEBI Name 3,5-dioxooctanedioic acid
ChEBI ID CHEBI:87999
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000085552652
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Formula C8H10O6
Net Charge 0
Average Mass 202.162
Monoisotopic Mass 202.04774
InChI InChI=1S/C8H10O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-4H2,(H,11,12)(H,13,14)
InChIKey OMFWHSRZHVVVAL-UHFFFAOYSA-N
SMILES C(CC(CC(CCC(O)=O)=O)=O)(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): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 Sources
3,5-dioxosuberic acid ChEBI
succinyl-acetoacetate ChemIDplus
succinylacetoacetate ChemIDplus
Registry Number Type Source
65115-74-4 CAS Registry Number ChemIDplus
Citations Types Sources
17513424 PubMed citation Europe PMC
20003495 PubMed citation Europe PMC
2611997 PubMed citation Europe PMC
7171740 PubMed citation Europe PMC
7246125 PubMed citation Europe PMC
Last Modified
23 September 2015