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CHEBI:90251 - bis(p-nitrophenyl)phosphocholine

ChEBI IDCHEBI:90251
ChEBI Namebis(p-nitrophenyl)phosphocholine
Stars
ASCII Namebis(p-nitrophenyl)phosphocholine
DefinitionA member of the class of phosphocholines obtained by formal condensation of the phosphate group of phosphocholine with the phenolic groups of two molecules of 4-nitrophenol.
Last Modified6 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H21N3O8P
Net Charge+1
Average Mass426.342
Monoisotopic Mass426.10608
SMILESC[N+](C)(C)CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H21N3O8P/c1-20(2,3)12-13-26-29(25,27-16-8-4-14(5-9-16)18(21)22)28-17-10-6-15(7-11-17)19(23)24/h4-11H,12-13H2,1-3H3/q+1
InChIKeyJGICZTZSFPGMOK-UHFFFAOYSA-N
Roles Classification
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
bis(p-nitrophenyl)phosphocholine (CHEBI:90251) has functional parent 4-nitrophenol (CHEBI:16836)
bis(p-nitrophenyl)phosphocholine (CHEBI:90251) has role chromogenic compound (CHEBI:75050)
bis(p-nitrophenyl)phosphocholine (CHEBI:90251) is a C-nitro compound (CHEBI:35716)
bis(p-nitrophenyl)phosphocholine (CHEBI:90251) is a phosphocholines (CHEBI:36700)
IUPAC Name 
2-{[bis(4-nitrophenoxy)phosphoryl]oxy}-N,N,N-trimethylethan-1-aminium
Synonym  Source
bis(4-nitrophenyl)phosphocholineChEBI