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U9N

Summary
Name:[(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate
Formula:C33 H66 N O8 P
Formal charge:0
Formula weight:635.853 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C33H66NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-19-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m0/s1
InChIKeyInChI1.03IQGMGIHASGWWFZ-HKBQPEDESA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC

223790

PDB entries from 2024-08-14

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