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CHEBI:68455 - o-methylhippuric acid

ChEBI IDCHEBI:68455
ChEBI Nameo-methylhippuric acid
Stars
ASCII Nameo-methylhippuric acid
DefinitionAn N-acylglycine that is the ortho-methyl derivative of hippuric acid.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC10H11NO3
Net Charge0
Average Mass193.202
Monoisotopic Mass193.07389
SMILESCc1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyYOEBAVRJHRCKRE-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)
o-methylhippuric acid (CHEBI:68455) has role metabolite (CHEBI:25212)
o-methylhippuric acid (CHEBI:68455) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
N-(2-methylbenzoyl)glycine
Synonyms  Source
N-(o-Toluoyl)glycineHMDB
2-methylhippuric acidChEBI
o-Toluric acidHMDB
Manual XrefsDatabases
HMDB0011723HMDB
Registry NumbersSources
Reaxys:2103944Reaxys
CAS:42013-20-7ChemIDplus
Citations