Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110067
Identification
Name: 4-oxoglutaramate
Description:Not Available
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C5H6NO4
Average Molecular Weight: 145.0375077183
Monoisotopic Molecular Weight: 145.0375077183
InChI Key: UGKYJAWJZICPEX-UHFFFAOYSA-M
InChI: InChI=1S/C5H7NO4/c6-5(10)3(7)1-2-4(8)9/h1-2H2,(H2,6,10)(H,8,9)/p-1
CAS number: Not Available
IUPAC Name:5-amino-4,5-dioxopentanoate
Traditional IUPAC Name: Not Available
SMILES:C(CC(=O)[O-])C(C(N)=O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Keto acids and derivatives
Sub ClassGamma-keto acids and derivatives
Direct Parent Gamma-keto acids and derivatives
Alternative Parents
Substituents
  • Gamma-keto acid
  • Short-chain keto acid
  • Fatty amide
  • Fatty acyl
  • Carboxamide group
  • Ketone
  • Primary carboxylic acid amide
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • 4-oxo monocarboxylic acid anion (CHEBI:27467)
  • a small molecule (4-OXOGLUTARAMATE)
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight144.106 g/molPubChem
XLogP3-AA-0.9 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count4 PubChem
Rotatable Bond Count3 PubChem
Exact Mass144.03 g/molPubChem
Monoisotopic Mass144.03 g/molPubChem
Topological Polar Surface Area100 A^2PubChem
Heavy Atom Count10 PubChem
Formal Charge-1 PubChem
Complexity169 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    ChEBI27467
    ChemSpider4573725
    KEGGC05572
    PubChem5460039