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PX2

Summary
Name:1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE
Formula:C27 H52 O8 P
Formal charge:-1
Formula weight:535.671 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate
OpenEye OEToolkits1.5.0[(2R)-2,3-di(dodecanoyloxy)propyl] hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCC
InChIInChI1.03InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/p-1/t25-/m1/s1
InChIKeyInChI1.03OKLASJZQBDJAPH-RUZDIDTESA-M

227344

PDB entries from 2024-11-13

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