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: C10H14N5O7P

Natural Isotopic Abundance Mass: 347.221221

Mono-Isotopic Molecular Masses:

  • C12N14: 347.0630843401
  • C13N14: 357.0966327181
  • C12N15: 352.0482588061
  • C13N15: 362.0818071841

InChI string: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

PubChem Compound (CID): 41211
CAS Registry number: 84-21-9
Sigma-Aldrich: A9272_SIGMA
ChEBI: CHEBI:28931
ChemIDplus: 000084219
ChemSpider: 37610
EINECS: 201-521-8
KEGG Compound ID: C01367
Beilstein Handbook Reference: 4-26-00-03607
PDB Compound ID: 3AM

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,