GP7

(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate

Created: 2009-10-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count114
Chiral Atom Count1
Bond Count113
Aromatic Bond Count0
2D diagram of GP7
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Chemical Component Summary

Name(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate
Synonyms1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
Systematic Name (OpenEye OEToolkits)[(2R)-1-[2-azanylethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxy-propan-2-yl] (12E)-hexadeca-9,12-dienoate
FormulaC36 H68 N O8 P
Molecular Weight673.901
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs11.02O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC
SMILESCACTVS3.352CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCC=CCCC
SMILESOpenEye OEToolkits1.7.0CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCC
Canonical SMILESCACTVS3.352 CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C\C\C=C\CCC
Canonical SMILESOpenEye OEToolkits1.7.0 CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC
InChIInChI1.03 InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,34H,3-6,8,10-12,14,16-33,37H2,1-2H3,(H,40,41)/b9-7+,15-13+/t34-/m1/s1
InChIKeyInChI1.03 NMIBJXZODRRZEA-NTSPIXPOSA-N

Related Resource References

Resource NameReference
PubChem 49867048