Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Alpha-Ketoglutaric Acid

Graphical representations:

alpha-Ketoglutaric acid image

View large 3D structure

Molecular Formula: C5 H6 O5

Natural Isotopic Abundance Mass: 146.0981400000

Mono-Isotopic Molecular Masses:

  • C12N14: 146.021523303
  • C13N14: 151.038297492
  • C12N15: 146.021523303
  • C13N15: 151.038297492

InChI String: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

isomeric and canonical SMILES: C(CC(=O)O)C(=O)C(=O)O

IUPAC: IUPAC cas: IUPAC openeye: IUPAC systematic
2-oxopentanedioic acid

IUPAC traditional
2-oxoglutaric acid

PubChem Substance (SID):   85164910   152694   3328
PubChem Compound (CID):   51
KEGG: Compound ID   C00026
CAS Registry IDs:   15303-07-8   17091-15-5   22202-68-2   27175-99-1   305-72-6   328-50-7   86248-59-1   997-43-3
PDB Chemical Component   2OG   AKG
Miscellaneous Databases and IDs:   CHEBI 30915   EINECS 206-330-3   NSC 17391

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,