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M7U

Summary
Name:(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate
Formula:C38 H75 O8 P
Formal charge:0
Formula weight:690.971 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate
OpenEye OEToolkits1.7.6[(2R)-2-hexadecanoyloxy-3-phosphonooxy-propyl] (10R)-10-methyloctadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-]P(=O)([O-])OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CCCCCCCC
InChIInChI1.03InChI=1S/C38H75O8P/c1-4-6-8-10-12-13-14-15-16-17-18-24-28-32-38(40)46-36(34-45-47(41,42)43)33-44-37(39)31-27-23-20-19-22-26-30-35(3)29-25-21-11-9-7-5-2/h35-36H,4-34H2,1-3H3,(H2,41,42,43)/p-2/t35-,36-/m1/s1
InChIKeyInChI1.03DHZGLVWUKHQXOO-LQFQNGICSA-L
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)CO[P](O)(O)=O
SMILESCACTVS3.385CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)O

246704

PDB entries from 2025-12-24

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