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PEX

Summary
Name:1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Formula:C25 H49 N O8 P
Formal charge:-1
Formula weight:522.632 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-aminoethyl (2R)-2,3-bis(decanoyloxy)propyl phosphate
OpenEye OEToolkits1.5.02-aminoethyl [(2R)-2,3-di(decanoyloxy)propyl] phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCCCCCC
InChIInChI1.03InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1
InChIKeyInChI1.03KKOSJVWUOHEQKA-HSZRJFAPSA-M

246905

PDB entries from 2025-12-31

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