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PD7

Summary
Name:(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
Formula:C17 H33 O8 P
Formal charge:0
Formula weight:396.413 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
OpenEye OEToolkits1.5.0[(2R)-1-heptanoyloxy-3-phosphonooxy-propan-2-yl] heptanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O
SMILES_CANONICALCACTVS3.341CCCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCC
SMILESCACTVS3.341CCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCC
InChIInChI1.03InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyInChI1.03JAXUAGQDLYDLQB-OAHLLOKOSA-N

226707

PDB entries from 2024-10-30

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