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Z41

Summary
Name:(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
Formula:C35 H68 O5
Formal charge:0
Formula weight:568.911 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
OpenEye OEToolkits1.7.6[(2S)-2-hexadecanoyloxy-3-oxidanyl-propyl] hexadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
InChIKeyInChI1.03JEJLGIQLPYYGEE-XIFFEERXSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
SMILESCACTVS3.370CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC

220113

PDB entries from 2024-05-22

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