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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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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.
View more via ChEBI Ontology
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
View more database links
Citation
Type
Source
8524836
PubMed citation
Europe PMC
Last Modified
25 January 2017