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S9Y

Summary
Name:2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Formula:C18 H39 N O6 P
Formal charge:1
Formula weight:396.479 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H38NO6P/c1-6-7-8-9-10-11-12-13-18(20)25-17(2)16-24-26(21,22)23-15-14-19(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
InChIKeyInChI1.03QDKXDMCUNRVOEC-KRWDZBQOSA-O
SMILES_CANONICALCACTVS3.385CCCCCCCCCC(=O)O[C@@H](C)CO[P](O)(=O)OCC[N+](C)(C)C
SMILESCACTVS3.385CCCCCCCCCC(=O)O[CH](C)CO[P](O)(=O)OCC[N+](C)(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCC(=O)OC(C)COP(=O)(O)OCC[N+](C)(C)C

221051

PDB entries from 2024-06-12

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