Molecule ID: 644168

IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl phosphate

Description: The molecule is the dianion resulting from the removal of two protons from the phosphate group of pyridoxal 5'-phosphate. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a cofactor. It is a conjugate base of a pyridoxal 5'-phosphate.

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

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

InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)/p-2

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -1.2