LOP

(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE

Created: 2006-02-09
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count113
Chiral Atom Count2
Bond Count112
Aromatic Bond Count0
2D diagram of LOP
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Chemical Component Summary

Name(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE
SynonymsLAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE
Systematic Name (OpenEye OEToolkits)[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-dodecanoyloxy-propan-2-yl] (Z)-octadec-9-enoate
FormulaC35 H68 N O8 P
Molecular Weight661.89
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
Canonical SMILESCACTVS3.341 CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
InChIInChI1.03 InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-12-10-8-6-4-2/h15-16,33H,3-14,17-32,36H2,1-2H3,(H,39,40)/b16-15-/t33-/m1/s1
InChIKeyInChI1.03 FUUNMZKPCMPCHT-ILGKRYBBSA-N

Related Resource References

Resource NameReference
PubChem 9547934