Molecule ID: 5459954

IUPAC Name: [(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl] phosphate

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate.

SMILES: O=P([O-])([O-])OC[C@@H](O)[C@@H](O)c1cnc[nH]1

SELFIES: [O][=P][Branch1][C][O-1][Branch1][C][O-1][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][N][=C][NH1][Ring1][Branch1]

InChI: InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/p-2/t5-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: -3.3