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CHEBI:17508 - 7,8-dihydroxykynurenic acid

ChEBI IDCHEBI:17508
ChEBI Name7,8-dihydroxykynurenic acid
Stars
DefinitionA hydroxyquinoline that is kynurenic acid in which the hydrogens at positions 7 and 8 are replaced by hydroxy groups.
Secondary ChEBI IDsCHEBI:2253, CHEBI:12247, CHEBI:20771
Last Modified2 July 2013
DownloadsMolfile
FormulaC10H7NO5
Net Charge0
Average Mass221.168
Monoisotopic Mass221.03242
SMILESO=C(O)c1cc(O)c2ccc(O)c(O)c2n1
InChIInChI=1S/C10H7NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,12,14H,(H,11,13)(H,15,16)
InChIKeyTYPRWJJYCBNAQC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7,8-dihydroxykynurenic acid (CHEBI:17508) has functional parent kynurenic acid (CHEBI:18344)
7,8-dihydroxykynurenic acid (CHEBI:17508) is a hydroxyquinoline (CHEBI:38774)
7,8-dihydroxykynurenic acid (CHEBI:17508) is a quinolinemonocarboxylic acid (CHEBI:26512)
7,8-dihydroxykynurenic acid (CHEBI:17508) is conjugate acid of 7,8-dihydroxykynurenate (CHEBI:58171)
Incoming Relation(s)
7,8-dihydroxykynurenate (CHEBI:58171) is conjugate base of 7,8-dihydroxykynurenic acid (CHEBI:17508)
IUPAC Name 
4,7,8-trihydroxyquinoline-2-carboxylic acid
Synonym  Source
7,8-DihydroxykynurenateKEGG COMPOUND
Manual XrefsDatabases
C01111KEGG COMPOUND
Registry NumbersSources
Reaxys:407716Reaxys