EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:17199 - 4,5-dihydroxyphthalic acid

ChEBI IDCHEBI:17199
ChEBI Name4,5-dihydroxyphthalic acid
Stars
Secondary ChEBI IDsCHEBI:1746, CHEBI:11924, CHEBI:20273
Last Modified26 April 2021
DownloadsMolfile
FormulaC8H6O6
Net Charge0
Average Mass198.130
Monoisotopic Mass198.01644
SMILESO=C(O)c1cc(O)c(O)cc1C(=O)O
InChIInChI=1S/C8H6O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKeyYZBCICVNBHNLTK-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)
4,5-dihydroxyphthalic acid (CHEBI:17199) has functional parent phthalic acid (CHEBI:29069)
4,5-dihydroxyphthalic acid (CHEBI:17199) is a hydroxybenzoic acid (CHEBI:24676)
4,5-dihydroxyphthalic acid (CHEBI:17199) is conjugate acid of 4,5-dihydroxyphthalate(2−) (CHEBI:58051)
Incoming Relation(s)
4,5-dihydroxyphthalate(2−) (CHEBI:58051) is conjugate base of 4,5-dihydroxyphthalic acid (CHEBI:17199)
IUPAC Name 
4,5-dihydroxyphthalic acid
Synonyms  Source
4,5-DihydroxyphthalateKEGG COMPOUND
4,5-Dihydroxyphthalic acidKEGG COMPOUND
Manual XrefsDatabases
C03233KEGG COMPOUND
c0183UM-BBD
Registry NumbersSources
CAS:63958-66-7KEGG COMPOUND