PAF   Click here for help

GtoPdb Ligand ID: 1831

Synonyms: PAF (C16) | PAF C-16 | platelet activating factor
PDB Ligand Immunopharmacology Ligand
Comment: PAF is an endogenous platelet-activating factor; PAF receptor agonist. PAF-PAFR signalling plays a role in a wide range of biological processes including vasodilation, superoxide formation, cell proliferation, angiogenesis and regulation of the inflammatory response.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 26
Topological polar surface area 103.93
Molecular weight 523.36
XLogP 6.51
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]
Isomeric SMILES CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]
InChI 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
InChI Key HVAUUPRFYPCOCA-AREMUKBSSA-N
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Compound class Metabolite or derivative
IUPAC Name Click here for help
[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-trimethylazaniumylethyl phosphate
Synonyms Click here for help
PAF (C16) | PAF C-16 | platelet activating factor
Database Links Click here for help
CAS Registry No. 74389-68-7
ChEBI CHEBI:44811
ChEMBL Ligand CHEMBL1235246
DrugBank Ligand DB02261
GtoPdb PubChem SID 135651534
PubChem CID 108156
RCSB PDB Ligand PFS
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Wikipedia Platelet-activating_factor

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Tocris
PAF (C16)
Cat. No. 2940