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Summary
Name:(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate
Formula:C31 H60 O5
Formal charge:0
Formula weight:512.805 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate
OpenEye OEToolkits1.9.2[(2S)-3-oxidanyl-2-tetradecanoyloxy-propyl] tetradecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1
InChIKeyInChI1.03JFBCSFJKETUREV-LJAQVGFWSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.9.2CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC

218853

PDB entries from 2024-04-24

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