Molecule ID: 25245492

IUPAC Name: [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylazanium

Description: The molecule is an ammonium ion that is the conjugate acid of pyridoxamine arising from selective protonation of the primary amino group; major species at pH 7.3. It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is an ammonium ion derivative and an organic cation. It is a conjugate base of a pyridoxamine(2+). It is a conjugate acid of a pyridoxamine.

SMILES: Cc1ncc(CO)c(C[NH3+])c1O

SELFIES: [C][C][=N][C][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][C][NH3+1][=C][Ring1][#Branch2][O]

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

Molecular Properties:
- Polar Surface Area: 81.0 Ų
- LogP: -1.0