bmse000130 Pyridoxamine at BMRB

Pyridoxamine
bmse000130 - data

Pyridoxamine

PYRIDOXAMINE; Pyridoxamine; 3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-; PM

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

Pyridoxamine

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.