PEF

DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE

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

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49 entries where PEF is found as a standalone ligand1 entries where PEF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	121
Chiral Atom Count	2
Bond Count	120
Aromatic Bond Count	0

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Chemical Component Summary
Name	DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE
Synonyms	3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL
Systematic Name (OpenEye OEToolkits)	[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-hexadecanoyloxy-propan-2-yl] hexadecanoate
Formula	C₃₇ H₇₄ N O₈ P
Molecular Weight	691.959
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI	1.03	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
InChIKey	InChI	1.03	SLKDGVPOSSLUAI-PGUFJCEWSA-N

Drug Info: DrugBank

DrugBank ID	DB01728
Name	1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine
Groups	experimental
Synonyms	2-aminoethyl (2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphate 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 2-aminoethyl (2R)-2,3-bis(palmitoyloxy)propyl hydrogen phosphate Dipalmitoyl phosphatidylethanolamine 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine
Categories	Antiplatelet agents Glycerophosphates Glycerophospholipids Hematologic Agents Lipids Membrane Lipids Phosphatidic Acids Phospholipids
CAS number	923-61-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Rhodopsin	MNGTEGPNFYVPFSNATGVVRSPFEYPQYYLAEPWQFSMLAAYMFLLIVL...	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