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LPX

Summary
Name:(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
Formula:C21 H44 N O7 P
Formal charge:0
Formula weight:453.55 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
OpenEye OEToolkits1.5.0[(2S)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-hydroxy-propyl] hexadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](O)(=O)OCCN
SMILESCACTVS3.341CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
InChIInChI1.03InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeyInChI1.03YVYMBNSKXOXSKW-FQEVSTJZSA-N

225399

PDB entries from 2024-09-25

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