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PG8

Summary
Name:1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)
Formula:C22 H42 O10 P
Formal charge:-1
Formula weight:497.537 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2,3-bis(octanoyloxy)propyl (2R)-2,3-dihydroxypropyl phosphate
OpenEye OEToolkits1.5.0[(2R)-2,3-dihydroxypropyl] [(2R)-2,3-di(octanoyloxy)propyl] phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCCCCC)CCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@H](O)CO)OC(=O)CCCCCCC
SMILESCACTVS3.341CCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO)OC(=O)CCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC
InChIInChI1.03InChI=1S/C22H43O10P/c1-3-5-7-9-11-13-21(25)29-17-20(32-22(26)14-12-10-8-6-4-2)18-31-33(27,28)30-16-19(24)15-23/h19-20,23-24H,3-18H2,1-2H3,(H,27,28)/p-1/t19-,20-/m1/s1
InChIKeyInChI1.03BQEXNLVNNRZNEI-WOJBJXKFSA-M

224201

PDB entries from 2024-08-28

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