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: C8H13N2O5P

Natural Isotopic Abundance Mass: 248.1729810000

Mono-Isotopic Molecular Masses:

  • C12N14: 248.056208048
  • C13N14: 256.083046751
  • C12N15: 250.050277835
  • C13N15: 258.077116537

InChI string: InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)

IUPAC: [4-(aminomethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methoxyphosphonic acid

PubChem Compound (CID): 1053
KEGG Compound ID: C00647
CAS Registry number: 529-96-4 951-83-7
ChEBI: 18335
EINECS: 208-471-6
Beilstein Handbook Reference: 4-22-00-06065
PDB Compound ID: PMP

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,