Molecule ID: 1014

IUPAC Name: trimethyl(2-phosphonooxyethyl)azanium

Description: The molecule is the phosphate of choline; and the parent compound of the phosphocholine family. It has a role as an epitope, a hapten, a human metabolite, a mouse metabolite and an allergen. It is a conjugate acid of a choline phosphate(1-).

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][O]

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: 66.8 Ų
- LogP: -1.5