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: C8H10NO6P

Natural Isotopic Abundance Mass: 247.1418610000

Mono-Isotopic Molecular Masses:

  • C12N14: 247.024573569
  • C13N14: 255.051412271
  • C12N15: 248.021608462
  • C13N15: 255.051412271

InChI string: InChI=1/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)/f/h12-13H

IUPAC: (4-formyl-5-hydroxy-6-methyl-pyridin-3-yl)methoxyphosphonic acid

PubChem Compound (CID): 1051
KEGG Compound ID: C00018
CAS Registry number: 52064-48-9 52441-27-7 54-47-7
ChEBI: 18405
NSC: 82388
EINECS: 200-208-3

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,