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CHEBI:68451 - α-hydroxyhippuric acid

ChEBI IDCHEBI:68451
ChEBI Nameα-hydroxyhippuric acid
Stars
ASCII Namealpha-hydroxyhippuric acid
DefinitionAn N-acyl-amino acid that is N-benzoylglycine substituted by a hydroxy group at C-2.
Last Modified4 December 2018
Submittermwilliams
DownloadsMolfile
FormulaC9H9NO4
Net Charge0
Average Mass195.174
Monoisotopic Mass195.05316
SMILESO=C(NC(O)C(=O)O)c1ccccc1
InChIInChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)
InChIKeyGCWCVCCEIQXUQU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
α-hydroxyhippuric acid (CHEBI:68451) has functional parent N-benzoylglycine (CHEBI:18089)
α-hydroxyhippuric acid (CHEBI:68451) has role human urinary metabolite (CHEBI:84087)
α-hydroxyhippuric acid (CHEBI:68451) is a N-acyl hemiaminal (CHEBI:142734)
α-hydroxyhippuric acid (CHEBI:68451) is a N-acyl-amino acid (CHEBI:51569)
α-hydroxyhippuric acid (CHEBI:68451) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
(benzoylamino)(hydroxy)acetic acid
Synonyms  Source
2-benzamidooxyacetic acidHMDB
α-hydroxybenzoylglycineHMDB
2-(Benzoylamino)-2-hydroxyacetic acidHMDB
Manual XrefsDatabases
HMDB0002404HMDB
Registry NumbersSources
Reaxys:2052165Reaxys
Citations