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PS1

Summary
Name:1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE]
Formula:C26 H49 N O10 P
Formal charge:-1
Formula weight:566.642 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04O-({[(2R)-2,3-bis(decanoyloxy)propyl]oxy}phosphinato)-L-serine
OpenEye OEToolkits1.5.0[(2S)-2-amino-3-hydroxy-3-oxo-propyl] [(2R)-2,3-di(decanoyloxy)propyl] phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCC(N)C(=O)O)CCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)O)N)OC(=O)CCCCCCCCC
InChIInChI1.03InChI=1S/C26H50NO10P/c1-3-5-7-9-11-13-15-17-24(28)34-19-22(20-35-38(32,33)36-21-23(27)26(30)31)37-25(29)18-16-14-12-10-8-6-4-2/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/p-1/t22-,23+/m1/s1
InChIKeyInChI1.03LRIPXDCMGANCAE-PKTZIBPZSA-M

221051

PDB entries from 2024-06-12

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