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A1EM3

Summary
Name:[(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] dodecanoate
Formula:C27 H54 N O8 P
Formal charge:0
Formula weight:551.693 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C27H54NO8P/c1-3-5-7-9-11-12-14-15-17-19-26(29)33-23-25(24-35-37(31,32)34-22-21-28)36-27(30)20-18-16-13-10-8-6-4-2/h25H,3-24,28H2,1-2H3,(H,31,32)/t25-/m1/s1
InChIKeyInChI1.06GFVZVLNRUBXMQX-RUZDIDTESA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC

250059

PDB entries from 2026-03-04

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