GLE

1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count2
Bond Count57
Aromatic Bond Count0
2D diagram of GLE

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Chemical Component Summary

Name1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL
Systematic Name (OpenEye OEToolkits)[1-decoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
FormulaC16 H32 F3 O6 P
Molecular Weight408.391
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)OC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC
Canonical SMILESCACTVS3.341 CCCCCCCCCCOC[C@@H](COCC(F)(F)F)O[P@](O)(=O)OC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC
InChIInChI1.03 InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyInChI1.03 YBCDZAGHRGXDRX-HNNXBMFYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07836 
Name1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL
Groups experimental
Synonyms1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
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 46937097