HGP

(1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE

Created:2004-02-13
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count125
Chiral Atom Count2
Bond Count124
Aromatic Bond Count0
2D diagram of HGP

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Chemical Component Summary

Name(1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE
Systematic Name (OpenEye OEToolkits)2-[[(2R)-3-hexadecanoyloxy-2-tetradecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
FormulaC38 H77 N O8 P
Molecular Weight706.994
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChIInChI1.03 InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1
InChIKeyInChI1.03 UIXXHROAQSBBOV-PSXMRANNSA-O

Related Resource References

Resource NameReference
PubChem 5313160