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:

Pyridoxamine-5-phosphate image

Molecular Formula: C8 H13 N2 O5 P

Natural Isotopic Abundance Mass: 248.1729810000

Mono-Isotopic Molecular Masses:

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

InCHi String:

isomeric and canonical SMILES: CC1=NC=C(C(=C1O)CN)COP(=O)(O)O

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

IUPAC traditional: IUPAC cas: IUPAC openeye
[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methoxyphosphonic acid

PubChem Substance (SID):   85164962   154034   3919
PubChem Compound (CID):   1053
KEGG: Compound ID   C00647
CAS Registry IDs:   529-96-4   951-83-7
PDB Chemical Component   PMP
Miscellaneous Databases and IDs:   CHEBI 18335   EINECS 208-471-6   Beilstein Handbook Reference 4-22-00-06065

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.