BMRB

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

Graphical representations:

oxalomalic acid image

Molecular Formula: C6 H6 O8 Na

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=1/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);/f/h9,11,13H;

Canonical and Isomeric SMILES: C(C(C(=O)O)O)(C(=O)C(=O)O)C(=O)O.[Na]

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
oxalomalic acid

PubChem Substance (SID):   40722918   24897945
PubChem Compound (CID):   16219796
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich O1626_SIGMA   ChemSpider 17347111

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.