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: C5H5N5O

Natural Isotopic Abundance Mass: 151.1261000000

Mono-Isotopic Molecular Masses:

  • C12N14: 151.049409809
  • C13N14: 156.066183998
  • C12N15: 156.034584275
  • C13N15: 156.066183998

InChI string: InChI=1/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)/f/h7,9H,6H2

IUPAC: 2-amino-3,7-dihydropurin-6-one

PubChem Compound (CID): 764
KEGG Compound ID: C00242
CAS Registry number: 11006-44-3 15986-36-4 37432-34-1 492-33-1 54435-87-9 69257-39-2 73-40-5 8039-79-0
ChEBI: 16235
HSDB: 2127
EINECS: 200-799-8

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,