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L44

Summary
Name:(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate
Formula:C39 H76 O5
Formal charge:0
Formula weight:625.018 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate
OpenEye OEToolkits1.7.6[(2S)-1-oxidanyl-3-tetradecanoyloxy-propan-2-yl] docosanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC(CO)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
InChIKeyInChI1.03DINFAYNBAABMIP-QNGWXLTQSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC
SMILESCACTVS3.370CCCCCCCCCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCC

222415

PDB entries from 2024-07-10

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