Molecular Identity
Phosphocholine cation
trimethyl(2-phosphonooxyethyl)azanium
PubChem CID: 1014
Phosphocholine is the phosphate of choline; and the parent compound of the phosphocholine family. It has a role as an allergen, an epitope, a hapten, a mouse metabolite and a human metabolite. It is a conjugate acid of a choline phosphate(1-).
2D Structure
Properties
C5H15NO4P+
Molecular Formula
184.15
Molecular Weight
g/mol
184.0739
Exact Mass
Da
-1.5
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
158
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Phosphocholine cationN,N,N-trimethyl-2-(phosphonooxy)ethanaminiumEthanaminium, N,N,N-trimethyl-2-(phosphonooxy)-Choline, dihydrogen phosphate (ester) (8CI)(2-(trimethylazaniumyl)ethoxy)phosphonic acid[2-(trimethylazaniumyl)ethoxy]phosphonic acidRefChem:822086Choline, dihydrogen phosphate (ester)phosphocholine3616-04-4O-Phosphocholinephosphoryl-cholinetrimethyl(2-phosphonooxyethyl)azaniumCHOPN-Trimethyl-2-aminoethylphosphonate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phosphocholine cation
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