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3PH

Summary
Name:1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE
Synonyms:PHOSPHATIDIC ACID
Formula:C39 H77 O8 P
Formal charge:0
Formula weight:704.998 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate
OpenEye OEToolkits1.5.0[(2R)-2-octadecanoyloxy-3-phosphonooxy-propyl] octadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
InChIKeyInChI1.03YFWHNAWEOZTIPI-DIPNUNPCSA-N

218500

PDB entries from 2024-04-17

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