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G8C

Summary
Name:1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine
Formula:C21 H42 N O8 P
Formal charge:0
Formula weight:467.534 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octanoyloxy-propyl] octanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyInChI1.03UNACBKDVIYEXSL-LJQANCHMSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
SMILESCACTVS3.385CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC

223790

PDB entries from 2024-08-14

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