Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C5H4N2O4

Natural Isotopic Abundance Mass: 156.0962600000

Mono-Isotopic Molecular Masses:

  • C12N14: 156.017106627
  • C13N14: 161.033880816
  • C12N15: 158.011176414
  • C13N15: 163.0279506026

InChI string: InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

IUPAC: 2,6-dioxo-3H-pyrimidine-4-carboxylic acid

PubChem Compound (CID): 967
KEGG Compound ID: C00295
ChemIDplus: 000065861
CAS Registry number: 65-86-1 6784-70-9
EINECS: 200-619-8
CCRIS: 3929
HSDB: 6377
PDB Compound ID: ORO

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,