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: C6H11N3O

Natural Isotopic Abundance Mass: 141.17104

Mono-Isotopic Molecular Masses:

  • C12N14: 141.0902119908
  • C13N14: 147.1103410176
  • C12N15: 144.0813166704
  • C13N15: 150.1014456972

InChI string: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1

PubChem Compound (CID): 165271
ChEBI: CHEBI:16255
NMRShiftDB: 20045930
KEGG Compound ID: C00860

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,