PC

PHOSPHOCHOLINE

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is present as a standalone ligand in 46 entries

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Chemical Component Summary
Name	PHOSPHOCHOLINE
Identifiers	trimethyl-(2-phosphonooxyethyl)azanium
Formula	C₅ H₁₅ N O₄ P
Molecular Weight	184.151
Type	NON-POLYMER
Isomeric SMILES	C[N+](C)(C)CCOP(=O)(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
InChIKey	YHHSONZFOIEMCP-UHFFFAOYSA-O

Chemical Details
Formal Charge	1
Atom Count	26
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB03945
Name	N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium
Groups	experimental
Description	Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.
Synonyms	Choline, dihydrogen phosphate (ester) (8CI) Phosphocholine cation N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium Phosphorylcholine chloride Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-
Categories	Amines Onium Compounds Phosphorylcholine Quaternary Ammonium Compounds Trimethyl Ammonium Compounds
CAS number	3616-04-4

Drug Targets

Name	Target Sequence	Pharmacological Action
C-reactive protein	MEKLLCFLVLTSLSHAFGQTDMSRKAFVFPKESDTSYVSLKAPLTKPLKA...	unknown
Epididymal sperm-binding protein 1	MTRWSSYLLGWTTFLLYSYESSGGMHEECVFPFTYKGSVYFTCTHIHSLS...	unknown
Gamma-hemolysin component B	MKMNKLVKSSVATSMALLLLSGTANAEGKITPVSVKKVDDKVTLYKTTAT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682