BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Pyridoxamine

Graphical representations:

Pyridoxamine image

Molecular Formula: C8 H12 N2 O2

Natural Isotopic Abundance Mass: 168.1930800000

Mono-Isotopic Molecular Masses:

  • C12N14: 168.08987764
  • C13N14: 176.116716342
  • C12N15: 170.083947426
  • C13N15: 178.1107861286

InCHi String: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3

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

IUPAC
4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-pyridin-3-ol

IUPAC traditional
4-(aminomethyl)-2-methyl-5-methylol-pyridin-3-ol

PubChem Substance (SID):   85164961   149825   3816
PubChem Compound (CID):   1052
KEGG: Compound ID   C00534
CAS Registry IDs:   85-87-0
PDB Chemical Component   PXM
Miscellaneous Databases and IDs:   CHEBI 16410   EINECS 201-640-5

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.