Molecule ID: 657272

IUPAC Name: [(2R)-2,3-dihydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is a member of the class of phosphocholines that is the choline ester of sn-glycero-3-phosphate. It is one of the major osmolyte in the renal medullary cells. It has a role as a parasympatholytic, a neuroprotective agent, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of sn-glycerol 3-phosphates and a member of phosphocholines.

SMILES: C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO

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

InChI: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: -2.3