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:


View large 3D structure

Molecular Formula: C10H12N4O5

Natural Isotopic Abundance Mass: 268.22608

Mono-Isotopic Molecular Masses:

  • C12N14: 268.0807695165
  • C13N14: 278.1143178945
  • C12N15: 272.0689090893
  • C13N15: 282.1024574673

InChI string: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

PubChem Compound (CID): 6021
KEGG Compound ID: C00294
CAS Registry number: 12712-98-0 132953-54-9 28861-88-3 4181-51-5 58-63-9
ChEBI: 17596
EINECS: 200-390-4
NSC: 20262
PDB Compound ID: NOS

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,