Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110618
Identification
Name: L-α-amino-ε-keto-pimelate
Description:Conjugate base of (S)-2-amino-6-oxopimelic acid.
Structure
Thumb
Synonyms:
  • L-2-Amino-6-oxopimelate
  • L-2-Amino-6-oxoheptanedioate
Chemical Formula: C7H10NO5
Average Molecular Weight: 190.0715475009
Monoisotopic Molecular Weight: 190.0715475009
InChI Key: UKCSFKLWNHUBDY-BYPYZUCNSA-M
InChI: InChI=1S/C7H11NO5/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)/p-1/t4-/m0/s1
CAS number: Not Available
IUPAC Name:(2S)-2-ammonio-6-oxoheptanedioate
Traditional IUPAC Name: Not Available
SMILES:C([O-])(=O)C(CCCC(C([O-])=O)=O)[N+]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct Parent Alpha amino acids and derivatives
Alternative Parents
Substituents
  • Alpha-amino acid or derivatives
  • Medium-chain keto acid
  • Amino fatty acid
  • Alpha-keto acid
  • Dicarboxylic acid or derivatives
  • Keto acid
  • Fatty acyl
  • Ketone
  • Carboxylic acid salt
  • Carboxylic acid
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic salt
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer25202391 PubChem
Molecular Weight188.159 g/molPubChem
XLogP3-AA-2 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count5 PubChem
Rotatable Bond Count4 PubChem
Exact Mass188.056 g/molPubChem
Monoisotopic Mass188.056 g/molPubChem
Topological Polar Surface Area125 A^2PubChem
Heavy Atom Count13 PubChem
Formal Charge-1 PubChem
Complexity214 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count1 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
    ChEBI58556
    KEGGC03871
    PubChem25202391