Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Oxalomalic Acid

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Molecular Formula: C6H6O8Na

Natural Isotopic Abundance Mass: 229.09681

Mono-Isotopic Molecular Masses:

  • C12N14: 228.9960368394
  • C13N14: 235.0161658662
  • C12N15: 228.9960368394
  • C13N15: 235.0161658662

InChI string: InChI=1S/C6H6O8.Na/c7-2(5(11)12)1(4(9)10)3(8)6(13)14;/h1-2,7H,(H,9,10)(H,11,12)(H,13,14);/t1-,2-;/m1./s1

PubChem Compound (CID): 16219796
Sigma-Aldrich: O1626_SIGMA
ChemSpider: 17347111

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,