bis(p-nitrophenyl)phosphocholine (CHEBI:90251)

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ChEBI Name	bis(p-nitrophenyl)phosphocholine

ChEBI ID	CHEBI:90251

ChEBI ASCII Name	bis(p-nitrophenyl)phosphocholine

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H21N3O8P

Net Charge

Average Mass

426.338

Monoisotopic Mass

426.10608

InChI

InChI=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

InChIKey

JGICZTZSFPGMOK-UHFFFAOYSA-N

SMILES

C=1C=C(C=CC1OP(OCC[N+](C)(C)C)(=O)OC=2C=CC(=CC2)[N+]([O-])=O)[N+](=O)[O-]

Roles Classification
Application(s):	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	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)phosphocholine	ChEBI

Last Modified

06 November 2015