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A1EZI

Summary
Name:[(2~{S})-2-hexadecanoyloxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] hexadecanoate
Formula:C36 H71 O8 P
Formal charge:0
Formula weight:662.918 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-2-hexadecanoyloxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] hexadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C36H71O8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41-3)44-36(38)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3,(H,39,40)/t34-/m0/s1
InChIKeyInChI1.06CNEFYRLODUDZLK-UMSFTDKQSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OC)OC(=O)CCCCCCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC)OC(=O)CCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC

248942

PDB entries from 2026-02-11

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