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LAP

Summary
Name:[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM
Synonyms:L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL
Formula:C20 H43 N O7 P
Formal charge:1
Formula weight:440.532 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide
OpenEye OEToolkits1.5.02-[[(2R)-3-dodecanoyloxy-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+](C)(C)C
SMILESCACTVS3.341CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+](C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
InChIInChI1.03InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1
InChIKeyInChI1.03BWKILASWCLJPBO-UHFFFAOYSA-O

219140

PDB entries from 2024-05-01

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