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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2018-02-28 20:41:01 UTC
Update Date2023-02-21 17:33:47 UTC
HMDB IDHMDB0240258
Secondary Accession NumbersNone
Metabolite Identification
Common NameSuccinylacetoacetate
Description
Structure
Data?1677000827
Synonyms
ValueSource
3,5-Dioxosuberic acidChEBI
Succinyl-acetoacetateChEBI
SuccinylacetoacetateChEBI
3,5-DioxosuberateGenerator
Succinyl-acetoacetic acidGenerator
Succinylacetoacetic acidGenerator
Succinyl acetoacetic acidGenerator
3,5-Dioxooctanedioic acidHMDB
Chemical FormulaC8H10O6
Average Molecular Weight202.1614
Monoisotopic Molecular Weight202.047738052
IUPAC Name3,5-dioxooctanedioic acid
Traditional Name3,5-dioxooctanedioic acid
CAS Registry Number65115-74-4
SMILES
OC(=O)CCC(=O)CC(=O)CC(O)=O
InChI Identifier
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)
InChI KeyOMFWHSRZHVVVAL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassKeto acids and derivatives
Sub ClassMedium-chain keto acids and derivatives
Direct ParentMedium-chain keto acids and derivatives
Alternative Parents
Substituents
  • Medium-chain keto acid
  • Gamma-keto acid
  • Beta-keto acid
  • 1,3-diketone
  • Beta-hydroxy ketone
  • Dicarboxylic acid or derivatives
  • 1,3-dicarbonyl compound
  • Ketone
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organooxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID111425
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound125181
PDB IDNot Available
ChEBI ID87999
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1468761
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Lindblad B, Steen G: Identification of 4,6-dioxoheptanoic acid (succinylacetone), 3,5-dioxooctanedioic acid (succinylacetoacetate) and 4-Oxo-6-hydroxyheptanoic acid in the urine from patients with hereditary tyrosinemia. Biomed Mass Spectrom. 1982 Oct;9(10):419-24. [PubMed:7171740 ]
  2. Cassiman D, Zeevaert R, Holme E, Kvittingen EA, Jaeken J: A novel mutation causing mild, atypical fumarylacetoacetase deficiency (Tyrosinemia type I): a case report. Orphanet J Rare Dis. 2009 Dec 15;4:28. doi: 10.1186/1750-1172-4-28. [PubMed:20003495 ]