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CHEBI:68589 - 5-aminosalicyluric acid

ChEBI IDCHEBI:68589
ChEBI Name5-aminosalicyluric acid
Stars
DefinitionAn N-acylglycine in which the acyl group is specified as 5-amino-2-hydroxybenzoyl.
Last Modified12 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC9H10N2O4
Net Charge0
Average Mass210.189
Monoisotopic Mass210.06406
SMILESNc1ccc(O)c(C(=O)NCC(=O)O)c1
InChIInChI=1S/C9H10N2O4/c10-5-1-2-7(12)6(3-5)9(15)11-4-8(13)14/h1-3,12H,4,10H2,(H,11,15)(H,13,14)
InChIKeyHZXFAYOGIGTEDC-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)
5-aminosalicyluric acid (CHEBI:68589) has functional parent salicyluric acid (CHEBI:9008)
5-aminosalicyluric acid (CHEBI:68589) has role metabolite (CHEBI:25212)
5-aminosalicyluric acid (CHEBI:68589) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
N-(5-amino-2-hydroxybenzoyl)glycine
Registry NumbersSources
Reaxys:8624312Reaxys
Citations