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PS6

Summary
Name:O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine
Formula:C26 H50 N O10 P
Formal charge:0
Formula weight:567.65 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine
OpenEye OEToolkits1.5.0(2R)-2-amino-3-[[(2S)-2-hexanoyloxy-3-tetradecanoyloxy-propoxy]-hydroxy-phosphoryl]oxy-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCC)CCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](N)C(O)=O)OC(=O)CCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC
InChIInChI1.03InChI=1S/C26H50NO10P/c1-3-5-7-8-9-10-11-12-13-14-16-17-24(28)34-19-22(37-25(29)18-15-6-4-2)20-35-38(32,33)36-21-23(27)26(30)31/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/t22-,23+/m0/s1
InChIKeyInChI1.03HXSPCZGHXODQMW-XZOQPEGZSA-N

221051

PDB entries from 2024-06-12

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