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CHEBI:68552 - p-methylhippuric acid

ChEBI IDCHEBI:68552
ChEBI Namep-methylhippuric acid
Stars
ASCII Namep-methylhippuric acid
DefinitionAn N-acylglycine in which the acyl group is specified as 4-methylbenzoyl.
Last Modified2 November 2012
Submittermwilliams
DownloadsMolfile
FormulaC10H11NO3
Net Charge0
Average Mass193.202
Monoisotopic Mass193.07389
SMILESCc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyNRSCPTLHWVWLLH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
p-methylhippuric acid (CHEBI:68552) has role metabolite (CHEBI:25212)
p-methylhippuric acid (CHEBI:68552) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
N-(4-methylbenzoyl)glycine
Synonym  Source
4-Methylhippuric acidHMDB
Manual XrefsDatabases
HMDB0013292HMDB
Registry NumbersSources
Reaxys:2104083Reaxys
CAS:27115-50-0ChemIDplus
Citations