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CHEBI:55394 - p-nitrophenylphosphocholine

ChEBI IDCHEBI:55394
ChEBI Namep-nitrophenylphosphocholine
Stars
ASCII Namep-nitrophenylphosphocholine
DefinitionA phosphocholine that is the 4-nitrophenyl ester of choline phosphate.
Secondary ChEBI IDsCHEBI:44449, CHEBI:59133
Last Modified11 January 2017
SubmitterMarcus Ennis, zjosephs
DownloadsMolfile
FormulaC11H18N2O6P
Net Charge+1
Average Mass305.247
Monoisotopic Mass305.08970
SMILESC[N+](C)(C)CCOP(=O)(O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3/p+1
InChIKeyNAIXASFEPQPICN-UHFFFAOYSA-O
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
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)
p-nitrophenylphosphocholine (CHEBI:55394) has role epitope (CHEBI:53000)
p-nitrophenylphosphocholine (CHEBI:55394) has role hapten (CHEBI:59174)
p-nitrophenylphosphocholine (CHEBI:55394) is a phosphocholines (CHEBI:36700)
IUPAC Names 
2-{[hydroxy(4-nitrophenoxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
4-nitrophenyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
P-NITROPHENYL-PHOSPHOCHOLINEPDBeChem
NPPCChEBI
nitrophenylphosphocholineChEBI
p-nitrophenylphosphorylcholineChEBI
O-(4-nitrophenylphosphoryl)cholineChEBI
phosphocholine 4-nitrophenyl esterChEBI
Manual XrefsDatabases
NCHPDBeChem
1DL7PDB
Registry NumbersSources
Beilstein:10362092Beilstein
Reaxys:10362092Reaxys
Citations