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: C5H6N2O3

Natural Isotopic Abundance Mass: 142.11274

Mono-Isotopic Molecular Masses:

  • C12N14: 142.0378420693
  • C13N14: 147.0546162583
  • C12N15: 144.0319118557
  • C13N15: 149.0486860447

InChI string: InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)

PubChem Compound (CID): 78168
CAS Registry number: 4433-40-3
ChEBI: CHEBI:16964
ZINC: ZINC00114121
BioCyc: CPD-254
ChemIDplus: 004433403
ChemSpider: 70544
ICCB-Longwood/NSRB Screening Facility, Harvard Medical School: HMS1619D05
EINECS: 224-636-5
CCRIS: 8815
KEGG Compound ID: C03088
NIST: 211913310
PDB Compound ID: HMU

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,