Molecule ID: 3330960

IUPAC Name: 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is the organophosphate oxoanion formed from choline by removal of two protons from the phosphate group. Major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a phosphocholine.

SMILES: C[N+](C)(C)CCOP(=O)([O-])[O-]

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

InChI: InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 72.4 Ų
- LogP: -1.7