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6PH

Summary
Name:(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
Synonyms:PHOSPHATIDIC ACID
Formula:C31 H61 O8 P
Formal charge:0
Formula weight:592.785 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
OpenEye OEToolkits1.5.0[(2R)-1-phosphonooxy-3-tridecanoyloxy-propan-2-yl] pentadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)O
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P](O)(O)=O
SMILESCACTVS3.341CCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChIInChI1.03InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
InChIKeyInChI1.03UOOPRMYYAWVCCZ-GDLZYMKVSA-N

219140

PDB entries from 2024-05-01

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