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SummaryGeometryRelated PDB entries

F57

Summary
Name:(2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate
Formula:C31 H61 O8 P
Formal charge:0
Formula weight:592.785 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate
OpenEye OEToolkits2.0.6[(2~{R})-1-decanoyloxy-3-phosphonooxy-propan-2-yl] octadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)O)COC(=O)CCCCCCCCC
InChIInChI1.03InChI=1S/C31H61O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
InChIKeyInChI1.03NEHFRILYYHJEFJ-GDLZYMKVSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)CO[P](O)(O)=O
SMILESCACTVS3.385CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCC)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
SMILESOpenEye OEToolkits2.0.6CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COP(=O)(O)O

218500

PDB entries from 2024-04-17

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