Molecule ID: 49791964

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

Description: The molecule is conjugate base of L-histidinol phosphate having an anionic phosphate and a catoinic amino group; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a L-histidinol phosphate.

SMILES: N[C@H](COP(=O)([O-])O)Cc1cnc[nH]1

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

InChI: InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/p-1/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -4.7