CHEBI:44940 - 4-nitrophenyl methylphosphonate

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ChEBI Name 4-nitrophenyl methylphosphonate
ChEBI ID CHEBI:44940
Definition A C-nitro compound that is a phosphonate transition state analogue with affinity for catalytic antibody (esterase) CNJ206.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H7NO5P
Net Charge -1
Average Mass 216.10790
Monoisotopic Mass 216.00673
InChI InChI=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
InChIKey VJPXTXIEAOSJBR-UHFFFAOYSA-M
SMILES CP([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 Xrefs Databases
1KNO PDB
DB08413 DrugBank
PNP PDBeChem
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Last Modified
25 January 2017