PEE

1,2-dioleoyl-sn-glycero-3-phosphoethanolamine

Created:	1999-07-08
Last modified:	2024-09-27

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213 entries where PEE is found as a standalone ligand2 entries where PEE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	129
Chiral Atom Count	1
Bond Count	128
Aromatic Bond Count	0

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Chemical Component Summary
Name	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
Synonyms	DOPE
Systematic Name (OpenEye OEToolkits)	[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate
Formula	C₄₁ H₇₈ N O₈ P
Molecular Weight	744.034
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NCCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
SMILES	CACTVS	3.385	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
Canonical SMILES	CACTVS	3.385	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI	InChI	1.03	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
InChIKey	InChI	1.03	MWRBNPKJOOWZPW-NYVOMTAGSA-N

Drug Info: DrugBank

DrugBank ID	DB04327
Name	Phosphatidylethanolamine
Groups	experimental
Synonyms	Phosphatidylethanolamine
Categories	Glycerophosphates Glycerophospholipids Lipids Membrane Lipids Phosphatidic Acids Phospholipids

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN	MTAIIKEIVSRNKRRYQEDGFDLDLTYIYPNIIAMGFPAERLEGVYRNNI...	unknown	substrate
Endothelial protein C receptor	MLTTLLPILLLSGWAFCSQDASDGLQRLHMLQISYFRDPYHVWYQGNASL...	unknown
Bacteriorhodopsin	MNLESLLHWIYVAGMTIGALHFWSLSRNPRGVPQYEYLVAMFIPIWSGLA...	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