P6L

(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE

Created: 2005-03-04
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count126
Chiral Atom Count3
Bond Count125
Aromatic Bond Count0
2D diagram of P6L
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Chemical Component Summary

Name(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE
Systematic Name (OpenEye OEToolkits)[(2S)-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-hexadec-6-enoyloxy-propyl] octadec-8-enoate
FormulaC40 H75 O10 P
Molecular Weight746.991
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCC/C=C/CCCCCCCCC)CCCC\C=C/CCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCC=CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCCCCCCCCC
Canonical SMILESCACTVS3.341 CCCCCCCCC/C=C/CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC
InChIInChI1.03 InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h18,20,22,24,37-38,41-42H,3-17,19,21,23,25-36H2,1-2H3,(H,45,46)/b20-18+,24-22-/t37-,38+/m1/s1
InChIKeyInChI1.03 WLVNRDXLPAAELE-GDRYEXQRSA-N

Related Resource References

Resource NameReference
PubChem 5289101