PEF

DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE

Created: 2000-05-24
Last modified:  2021-03-13

Find related ligands:

Chemical Details

Formal Charge0
Atom Count121
Chiral Atom Count2
Bond Count120
Aromatic Bond Count0
2D diagram of PEF

Chemical Component Summary

NameDI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE
Synonyms3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL
Systematic Name (OpenEye OEToolkits)[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-hexadecanoyloxy-propan-2-yl] hexadecanoate
FormulaC37 H74 N O8 P
Molecular Weight691.959
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChIInChI1.03 InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
InChIKeyInChI1.03 SLKDGVPOSSLUAI-PGUFJCEWSA-N

Drug Info: DrugBank

DrugBank IDDB01728 
Name1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine
Groups experimental
Synonyms
  • 2-aminoethyl (2R)-2,3-bis(palmitoyloxy)propyl hydrogen phosphate
  • 2-aminoethyl (2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphate
  • 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine
  • Dipalmitoyl phosphatidylethanolamine
  • 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine
Categories
  • Antiplatelet agents
  • Glycerophosphates
  • Glycerophospholipids
  • Hematologic Agents
  • Lipids
CAS number923-61-5

Drug Targets

NameTarget SequencePharmacological ActionActions
RhodopsinMNGTEGPNFYVPFSNATGVVRSPFEYPQYYLAEPWQFSMLAAYMFLLIVL...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

Related Resource References

Resource NameReference
PubChem 445468, 11802774
ChEBI CHEBI:73005, CHEBI:73127