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4AG

Summary
Name:(2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE
Synonyms:SN-1,2-DIPALMITOYL DIACYLGLYCEROL
Formula:C35 H68 O5
Formal charge:0
Formula weight:568.911 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-3-hydroxypropane-1,2-diyl dihexadecanoate
OpenEye OEToolkits1.7.0[(2R)-2-hexadecanoyloxy-3-hydroxy-propyl] hexadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC(COC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC
SMILESCACTVS3.370CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.7.0CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)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-/m1/s1
InChIKeyInChI1.03JEJLGIQLPYYGEE-MGBGTMOVSA-N

222415

数据于2024-07-10公开中

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