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6PE

Summary
Name:1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Formula:C17 H33 N O8 P
Formal charge:-1
Formula weight:410.42 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC(OC(=O)CCCCC)COP([O-])(=O)OCCN)CCCCC
SMILES_CANONICALCACTVS3.341CCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCC
SMILESCACTVS3.341CCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCCN)OC(=O)CCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCC
InChIInChI1.03InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/p-1/t15-/m1/s1
InChIKeyInChI1.03PELYUHWUVHDSSU-OAHLLOKOSA-M

222415

PDB entries from 2024-07-10

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