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LJQ

Summary
Name:[(2~{S})-1-dodecanoyloxy-3-oxidanyl-propan-2-yl] pentadecanoate
Formula:C30 H58 O5
Formal charge:0
Formula weight:498.779 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-1-dodecanoyloxy-3-oxidanyl-propan-2-yl] pentadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C30H58O5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-30(33)35-28(26-31)27-34-29(32)24-22-20-18-16-12-10-8-6-4-2/h28,31H,3-27H2,1-2H3/t28-/m0/s1
InChIKeyInChI1.03IWQJHHBIHRVMSK-NDEPHWFRSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCC

250359

PDB entries from 2026-03-11

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