OZ2

(2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate

Created: 2010-10-06
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count117
Chiral Atom Count2
Bond Count116
Aromatic Bond Count0
2D diagram of OZ2
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Chemical Component Summary

Name(2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate
Systematic Name (OpenEye OEToolkits)[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-[(Z)-tridec-6-enoyl]oxy-propyl] (Z)-octadec-9-enoate
FormulaC37 H69 O10 P
Molecular Weight704.912
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCC\C=C/CCCCCC
SMILESCACTVS3.370CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCC
SMILESOpenEye OEToolkits1.7.0CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCCCCCC
Canonical SMILESCACTVS3.370 CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@@H](O)CO)OC(=O)CCCC\C=C/CCCCCC
Canonical SMILESOpenEye OEToolkits1.7.0 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\CCCCCC
InChIInChI1.03 InChI=1S/C37H69O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-36(40)44-32-35(33-46-48(42,43)45-31-34(39)30-38)47-37(41)29-27-25-23-20-14-12-10-8-6-4-2/h14,16-17,20,34-35,38-39H,3-13,15,18-19,21-33H2,1-2H3,(H,42,43)/b17-16-,20-14-/t34-,35+/m0/s1
InChIKeyInChI1.03 YOPHQENQMRACBJ-BMAOJOIDSA-N

Related Resource References

Resource NameReference
PubChem 46926553