CHEBI:88742 - Gentisuric acid

ChEBI IDCHEBI:88742
ChEBI NameGentisuric acid
Stars
Last Modified12 March 2018
DownloadsMolfile
FormulaC9H9NO5
Net Charge0
Average Mass211.173
Monoisotopic Mass211.04807
SMILESO=C(O)CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C9H9NO5/c11-5-1-2-7(12)6(3-5)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)
InChIKeyFBFATOOJCPDQOZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (417892)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Gentisuric acid (CHEBI:88742) is a N-acylglycine (CHEBI:16180)
Synonyms  Source
n-(2,5-dihydroxybenzoyl)glycineHMDB
2-[(2,5-dihydroxybenzoyl)amino]acetic acidHMDB
2-[(2,5-dihydroxyphenyl)formamido]acetic acidHMDB
Manual XrefsDatabases
HMDB0059999HMDB
Citations