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CHEBI:10586 - 3-carboxyphenyl phenylacetamidomethylphosphonate

ChEBI IDCHEBI:10586
ChEBI Name3-carboxyphenyl phenylacetamidomethylphosphonate
Stars
DefinitionAn organic 3-carboxyphenyl phosphonate monoester.
Last Modified2 February 2016
DownloadsMolfile
FormulaC16H16NO6P
Net Charge0
Average Mass349.279
Monoisotopic Mass349.07152
SMILESO=C(Cc1ccccc1)NCP(=O)(O)Oc1cccc(C(=O)O)c1
InChIInChI=1S/C16H16NO6P/c18-15(9-12-5-2-1-3-6-12)17-11-24(21,22)23-14-8-4-7-13(10-14)16(19)20/h1-8,10H,9,11H2,(H,17,18)(H,19,20)(H,21,22)
InChIKeyPQNMYMXNEUQFAJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.5.2.6 (beta-lactamase) inhibitor  An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of β-lactamase (EC 3.5.2.6).
ChEBI Ontology
Outgoing Relation(s)
3-carboxyphenyl phenylacetamidomethylphosphonate (CHEBI:10586) has role EC 3.5.2.6 (β-lactamase) inhibitor (CHEBI:35625)
3-carboxyphenyl phenylacetamidomethylphosphonate (CHEBI:10586) is a aryl phosphonate (CHEBI:91046)
IUPAC Name 
3-[(hydroxy{[(phenylacetyl)amino]methyl}phosphoryl)oxy]benzoic acid
Synonyms  Source
m-Carboxyphenyl phenylacetamidomethylphosphonateKEGG COMPOUND
3-Carboxyphenyl phenylacetamidomethylphosphonateChemIDplus
m-CppampChemIDplus
Manual XrefsDatabases
C04684KEGG COMPOUND
Registry NumbersSources
CAS:125319-03-1ChemIDplus