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CHEBI:70869 - methyl hippurate

ChEBI IDCHEBI:70869
ChEBI Namemethyl hippurate
Stars
DefinitionA glycine derivative that is the methyl ester of hippuric acid.
Last Modified6 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC10H11NO3
Net Charge0
Average Mass193.202
Monoisotopic Mass193.07389
SMILESCOC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
InChIKeyXTKVNQKOTKPCKM-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
methyl hippurate (CHEBI:70869) has functional parent N-benzoylglycine (CHEBI:18089)
methyl hippurate (CHEBI:70869) has role metabolite (CHEBI:25212)
methyl hippurate (CHEBI:70869) is a glycine derivative (CHEBI:24373)
methyl hippurate (CHEBI:70869) is a methyl ester (CHEBI:25248)
IUPAC Names 
methyl N-benzoylglycinate
methyl (benzoylamino)acetate
Synonyms  Source
N-benzoyl-Glycine methyl esterHMDB
Hippuric acid methyl esterHMDB
Hippurate methyl esterHMDB
N-Benzoylglycine methyl esterHMDB
Manual XrefsDatabases
HMDB0000859HMDB
Registry NumbersSources
Reaxys:1912254Reaxys
CAS:1205-08-9ChemIDplus