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A1ACX

Summary
Name:3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxypropyl hexadecanoate
Formula:C24 H51 N O6 P
Formal charge:1
Formula weight:480.639 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4S)-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphapentacosan-1-aminium
OpenEye OEToolkits2.0.72-[3-hexadecanoyloxypropoxy(oxidanyl)phosphoryl]oxyethyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C[N+](C)(C)CCOP(O)(=O)OCCCOC(=O)CCCCCCCCCCCCCCC
InChIInChI1.06InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(26)29-21-18-22-30-32(27,28)31-23-20-25(2,3)4/h5-23H2,1-4H3/p+1
InChIKeyInChI1.06RADDWOTUVGBPAO-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OCC[N+](C)(C)C
SMILESCACTVS3.385CCCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OCC[N+](C)(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC[N+](C)(C)C
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC[N+](C)(C)C

247536

PDB entries from 2026-01-14

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