Molecule ID: 439398

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

Description: The molecule is the O-phospho derivative of L-histidinol. It has a role as an Escherichia coli metabolite. It derives from a L-histidinol. It is a conjugate acid of a L-histidinol phosphate(1-).

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][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)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -4.6