CHEBI:44940 - 4-nitrophenyl methylphosphonate

ChEBI IDCHEBI:44940
ChEBI Name4-nitrophenyl methylphosphonate
Stars
DefinitionA C-nitro compound that is a phosphonate transition state analogue with affinity for catalytic antibody (esterase) CNJ206.
Last Modified25 January 2017
DownloadsMolfile
FormulaC7H7NO5P
Net Charge-1
Average Mass216.109
Monoisotopic Mass216.00673
SMILESCP(=O)([O-])Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)/p-1
InChIKeyVJPXTXIEAOSJBR-UHFFFAOYSA-M
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
4-nitrophenyl methylphosphonate (CHEBI:44940) has role epitope (CHEBI:53000)
4-nitrophenyl methylphosphonate (CHEBI:44940) is a C-nitro compound (CHEBI:35716)
4-nitrophenyl methylphosphonate (CHEBI:44940) is a organophosphonate oxoanion (CHEBI:59635)
IUPAC Name 
4-nitrophenyl methylphosphonate
Manual XrefsDatabases
PNPPDBeChem
1KNOPDB
DB08413DrugBank
Citations