Molecule ID: 54718174

IUPAC Name: 4-carboxy-5-(hydroxymethyl)-2-methylpyridin-3-olate

Description: The molecule is a pyridoxate that is the conjugate base of 4-pyridoxic acid, obtained by deprotonation of the carboxy group. It has a role as a human metabolite. It derives from an isonicotinate. It is a conjugate base of a 4-pyridoxic acid.

SMILES: Cc1ncc(CO)c(C(=O)O)c1[O-]

SELFIES: [C][C][=N][C][=C][Branch1][Ring1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][O-1]

InChI: InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 93.5 Ų
- LogP: 0.7