Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C2H5N3O2

Natural Isotopic Abundance Mass: 103.08

Mono-Isotopic Molecular Masses:

  • C12N14: 103.0381764203
  • C13N14: 105.0448860959
  • C12N15: 106.0292810999
  • C13N15: 108.0359907755

InChI string: InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)

PubChem Compound (CID): 7913
CAS Registry number: 108-19-0
Sigma-Aldrich: 15270_FLUKA
ChEBI: CHEBI:18138
ChemSpider: 11517614
EPA DSSTox: 6783
ZINC: ZINC03875757
UM-BBD: c0164
KEGG Compound ID: C06555
ChemDB: 4953743
NCGC: NCGC00091696-01
NIST Chemistry WebBook: 2596479062

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,