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7PH

Summary
Name:(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
Synonyms:PHOSPHATIDIC ACID
Formula:C29 H57 O8 P
Formal charge:0
Formula weight:564.732 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O
SMILESCACTVS3.341CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)O
InChIInChI1.03InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1
InChIKeyInChI1.03UYOIGTVMJVHOSC-HHHXNRCGSA-N

219140

PDB entries from 2024-05-01

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