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DDR

Summary
Name:(2S)-3-hydroxypropane-1,2-diyl didecanoate
Synonyms:1,2-DIDECANOYL-SN-GLYCEROL
Formula:C23 H44 O5
Formal charge:0
Formula weight:400.592 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-3-hydroxypropane-1,2-diyl didecanoate
OpenEye OEToolkits1.5.0[(2S)-1-decanoyloxy-3-hydroxy-propan-2-yl] decanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC(COC(=O)CCCCCCCCC)CO)CCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC
InChIInChI1.03InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1
InChIKeyInChI1.03GNSDEDOVXZDMKM-NRFANRHFSA-N

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PDB entries from 2024-07-10

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