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CHEBI:63478 - 5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid

ChEBI IDCHEBI:63478
ChEBI Name5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid
Stars
DefinitionA dicarboxylic acid monoamide obtained by formal condensation of the anilino group of P-(4-aminobenzyl)-N-(4-nitrophenyl)phosphonamidic acid with one of the carboxy groups of glutaric acid.
Last Modified3 January 2012
SubmitterSteve
DownloadsMolfile
FormulaC18H20N3O7P
Net Charge0
Average Mass421.346
Monoisotopic Mass421.10389
SMILESO=C(O)CCCC(=O)Nc1ccc(CP(=O)(O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N3O7P/c22-17(2-1-3-18(23)24)19-14-6-4-13(5-7-14)12-29(27,28)20-15-8-10-16(11-9-15)21(25)26/h4-11H,1-3,12H2,(H,19,22)(H,23,24)(H2,20,27,28)
InChIKeyUXPGGDODXIFVDJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid (CHEBI:63478) has functional parent 4-nitroaniline (CHEBI:17064)
5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid (CHEBI:63478) has functional parent glutaric acid (CHEBI:17859)
5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid (CHEBI:63478) has role hapten (CHEBI:59174)
5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid (CHEBI:63478) is a C-nitro compound (CHEBI:35716)
5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid (CHEBI:63478) is a dicarboxylic acid monoamide (CHEBI:35735)
5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid (CHEBI:63478) is a organic phosphoramidate (CHEBI:37773)
IUPAC Name 
5-{[4-({hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid
Citations