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CHEBI:68500 - m-methylhippuric acid

ChEBI IDCHEBI:68500
ChEBI Namem-methylhippuric acid
Stars
ASCII Namem-methylhippuric acid
DefinitionAn N-acylglycine that is the 3-methyl derivative of hippuric acid.
Last Modified12 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC10H11NO3
Net Charge0
Average Mass193.202
Monoisotopic Mass193.07389
SMILESCc1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyYKAKNMHEIJUKEX-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)
m-methylhippuric acid (CHEBI:68500) has functional parent N-benzoylglycine (CHEBI:18089)
m-methylhippuric acid (CHEBI:68500) has role metabolite (CHEBI:25212)
m-methylhippuric acid (CHEBI:68500) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
N-(3-methylbenzoyl)glycine
Synonym  Source
3-methylhippuric acidChEBI
Manual XrefsDatabases
HMDB0013245HMDB
Registry NumbersSources
Reaxys:2103978Reaxys
CAS:27115-49-7ChemIDplus
Citations