Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Oxalosuccinate synonyms

Oxalosuccinic acid


Graphical representations:


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Molecular Formula: C6H6O7

Natural Isotopic Abundance Mass: 190.1076400000

Mono-Isotopic Molecular Masses:

  • C12N14: 190.011352547
  • C13N14: 196.031481574
  • C12N15: 190.011352547
  • C13N15: 196.031481574

InChI string: InChI=1/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/f/h7,10,12H

IUPAC: 1-oxopropane-1,2,3-tricarboxylic acid

PubChem Compound (CID): 972
KEGG Compound ID: C05379
ChemIDplus: *na
CAS Registry number: 1948-82-9

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,