LPE

1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Created: 2002-03-29
Last modified:  2020-06-05

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Chemical Details

Formal Charge1
Atom Count91
Chiral Atom Count2
Bond Count90
Aromatic Bond Count0
2D diagram of LPE
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Chemical Component Summary

Name1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE
SynonymsLPC-ETHER
Systematic Name (OpenEye OEToolkits)2-[hydroxy-[(2R)-2-hydroxy-3-octadecoxy-propoxy]phosphoryl]oxyethyl-trimethyl-azanium
FormulaC26 H57 N O6 P
Molecular Weight510.708
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
SMILESCACTVS3.341CCCCCCCCCCCCCCCCCCOC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](O)(=O)OCC[N+](C)(C)C
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O
InChIInChI1.03 InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1
InChIKeyInChI1.03 XKBJVQHMEXMFDZ-AREMUKBSSA-O

Drug Info: DrugBank

DrugBank IDDB03633 
NameLpc-Ether
Groups experimental
SynonymsLpc-Ether

Drug Targets

NameTarget SequencePharmacological ActionActions
Ganglioside GM2 activatorMQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRS...unknown
Phospholipase A2MKLLVLAVLLTVAAADSGISPRAVWQFRKMIKCVIPGSDPFLEYNNYGCY...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 446876