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P8P

Summary
Name:(2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate
Synonyms:dioctanoylglycerol pyrophosphate
Formula:C19 H38 O11 P2
Formal charge:0
Formula weight:504.446 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate
OpenEye OEToolkits1.7.2[(2R)-2-octanoyloxy-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propyl] octanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OP(=O)(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)O
InChIInChI1.03InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
InChIKeyInChI1.03MBDSUZSCJLRKPC-QGZVFWFLSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC
SMILESCACTVS3.370CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC
SMILESOpenEye OEToolkits1.7.2CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC

223166

數據於2024-07-31公開中

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