EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:606565 - N-benzoylglycinate

ChEBI IDCHEBI:606565
ChEBI NameN-benzoylglycinate
Stars
ASCII NameN-benzoylglycinate
DefinitionAn α-amino-acid anion that is the conjugate base of N-benzoylglycine; major species at pH 7.3.
Secondary ChEBI IDCHEBI:24594
Last Modified11 April 2023
DownloadsMolfile
FormulaC9H8NO3
Net Charge-1
Average Mass178.167
Monoisotopic Mass178.05097
SMILESO=C([O-])CNC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/p-1
InChIKeyQIAFMBKCNZACKA-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-benzoylglycinate (CHEBI:606565) has role human metabolite (CHEBI:77746)
N-benzoylglycinate (CHEBI:606565) is a hippurates (CHEBI:132966)
N-benzoylglycinate (CHEBI:606565) is conjugate base of N-benzoylglycine (CHEBI:18089)
Incoming Relation(s)
N-benzoylglycine (CHEBI:18089) is conjugate acid of N-benzoylglycinate (CHEBI:606565)
IUPAC Name 
(benzoylamino)acetate
Synonyms  Source
N-benzoylglycinate anionChEBI
N-benzoylglycinate(1−)ChEBI
2-benzamidoacetateChEBI
hippurateChEBI
UniProt Name  Source
N-benzoylglycineUniProt
Manual XrefsDatabases
CPD-425MetaCyc
Registry NumbersSources
Gmelin:329632Gmelin
Reaxys:3610359Reaxys
Citations