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: C10H16N4O3

Natural Isotopic Abundance Mass: 240.25904

Mono-Isotopic Molecular Masses:

  • C12N14: 240.1222404007
  • C13N14: 250.1557887787
  • C12N15: 244.1103799735
  • C13N15: 254.1439283515

InChI string: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1

PubChem Compound (CID): 11444
MDL: MFCD00037001
CAS Registry number: 10030-52-1
MMCD: cq_00863
CAS Registry number: 584-85-0
Sigma-Aldrich: A1131_SIGMA
ChemBank: SMP1_000024
EINECS: 209-545-0
ChemDB: 6045530
ChemIDplus: 000584850

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,