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Y8F

Summary
Name:[(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate
Formula:C28 H55 O8 P
Formal charge:0
Formula weight:550.705 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H55O8P/c1-3-5-7-9-11-13-15-17-19-21-23-28(30)36-26(25-35-37(31,32)33)24-34-27(29)22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H2,31,32,33)/t26-/m0/s1
InChIKeyInChI1.06HSXSRFZJKUWGTG-SANMLTNESA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O
SMILESCACTVS3.385CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)O

248335

PDB entries from 2026-01-28

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