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PA8

Summary
Name:1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE
Formula:C19 H36 O8 P
Formal charge:-1
Formula weight:423.458 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P([O-])(O)OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCC
SMILESCACTVS3.341CCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCC
InChIInChI1.03InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/p-1/t17-/m1/s1
InChIKeyInChI1.03XYSBQYUENLDGMI-QGZVFWFLSA-M

218853

PDB entries from 2024-04-24

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