PFS

(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate

Created:	2004-07-15
Last modified:	2020-06-05

Find Related PDB Entry
2 entries where PFS is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	89
Chiral Atom Count	1
Bond Count	88
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms	PLATELET ACTIVATING FACTOR
Systematic Name (OpenEye OEToolkits)	[(2R)-2-acetyloxy-3-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
Formula	C₂₆ H₅₄ N O₇ P
Molecular Weight	523.683
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C
SMILES	CACTVS	3.385	CCCCCCCCCCCCCCCCOC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCCCCCOC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
InChI	InChI	1.03	InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
InChIKey	InChI	1.03	HVAUUPRFYPCOCA-AREMUKBSSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02261
Name	Platelet Activating Factor
Groups	experimental
Synonyms	Platelet Activating Factor Platelet-activating factor PAF 16 PAF PAF acether 1-hexadecyl-2-acetyl-glycero-3-phosphocholine Blood platelet-activating factor
Categories	Adrenergic Agents Alcohols Amines Amino Alcohols Autacoids Biological Factors Blood Coagulation Factors Cardiovascular Agents Ethanolamines Glycerophosphates Glycerophospholipids Inflammation Mediators Lipids Membrane Lipids Neurotransmitter Agents Onium Compounds P-glycoprotein inducers P-glycoprotein substrates Phosphatidic Acids Phospholipid Ethers Phospholipids Platelet Activating Factor, antagonists & inhibitors Quaternary Ammonium Compounds Trimethyl Ammonium Compounds
CAS number	74389-68-7

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Platelet-activating factor receptor	MEPHDSSHMDSEFRYTLFPIVYSIIFVLGVIANGYVLWVFARLYPCKKFN...	unknown	agonist
Ganglioside GM2 activator	MQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRS...	unknown
ATP-dependent translocase ABCB1	MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...	unknown	substrate,inducer

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