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CHEBI:53728 - 2-[(2-{[2-({2,4-dinitro-5-[2,2,6,6-tetramethyl-1-(ylooxy)piperidin-4-ylamino]phenyl}amino)ethyl]amino}-2-oxoethoxy)acetamido]ethyl 1,2-dipalmitoylglycero-3-phosphate

ChEBI IDCHEBI:53728
ChEBI Name2-[(2-{[2-({2,4-dinitro-5-[2,2,6,6-tetramethyl-1-(ylooxy)piperidin-4-ylamino]phenyl}amino)ethyl]amino}-2-oxoethoxy)acetamido]ethyl 1,2-dipalmitoylglycero-3-phosphate
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DefinitionAn aminoxyl (nitroxide) free radical dipalmitoyl glycerophosphoethanolamine derivative used as a hapten in immunological investigations.
Last Modified8 July 2010
Submitterzjosephs
DownloadsMolfile
FormulaC58H102N7O16P
Net Charge-1
Average Mass1184.461
Monoisotopic Mass1183.71262
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)COCC(=O)NCCNc1cc(NC2CC(C)(C)N([O])C(C)(C)C2)c([N+](=O)[O-])cc1[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C58H103N7O16P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-55(68)78-43-48(81-56(69)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)44-80-82(75,76)79-38-37-61-54(67)46-77-45-53(66)60-36-35-59-49-39-50(52(64(72)73)40-51(49)63(70)71)62-47-41-57(3,4)65(74)58(5,6)42-47/h39-40,47-48,59,62H,7-38,41-46H2,1-6H3,(H,60,66)(H,61,67)(H,75,76)/p-1
InChIKeyIPYGKLYFGRBLPV-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-[(2-{[2-({2,4-dinitro-5-[2,2,6,6-tetramethyl-1-(ylooxy)piperidin-4-ylamino]phenyl}amino)ethyl]amino}-2-oxoethoxy)acetamido]ethyl 1,2-dipalmitoylglycero-3-phosphate (CHEBI:53728) is a aminoxyls (CHEBI:39477)
2-[(2-{[2-({2,4-dinitro-5-[2,2,6,6-tetramethyl-1-(ylooxy)piperidin-4-ylamino]phenyl}amino)ethyl]amino}-2-oxoethoxy)acetamido]ethyl 1,2-dipalmitoylglycero-3-phosphate (CHEBI:53728) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
2,3-bis(hexadecanoyloxy)propyl 2-({[2-({2-[(2,4-dinitro-5-{[2,2,6,6-tetramethyl-1-(ylooxy)piperidin-4-yl]amino}phenyl)amino]ethyl}amino)-2-oxoethoxy]acetyl}amino)ethyl phosphate
Synonym  Source
lipid hapten IIChEBI
Citations