CHEBI:17416 - 3,4-dihydroxyphthalic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4-dihydroxyphthalic acid
ChEBI ID CHEBI:17416
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1388, CHEBI:11699, CHEBI:19892
Supplier Information
Download Molfile XML SDF
Formula C8H6O6
Net Charge 0
Average Mass 198.12964
Monoisotopic Mass 198.01644
InChI InChI=1S/C8H6O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey QXGJCWSBOZXWOV-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(O)c(O)c1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,4-dihydroxyphthalic acid (CHEBI:17416) has functional parent phthalic acid (CHEBI:29069)
3,4-dihydroxyphthalic acid (CHEBI:17416) is a benzenedicarboxylic acid (CHEBI:26094)
3,4-dihydroxyphthalic acid (CHEBI:17416) is conjugate acid of 3,4-dihydroxyphthalate(2−) (CHEBI:58137)
Incoming 3,4-dihydroxyphthalate(2−) (CHEBI:58137) is conjugate base of 3,4-dihydroxyphthalic acid (CHEBI:17416)
IUPAC Name
3,4-dihydroxyphthalic acid
Synonyms Sources
3,4-Dihydroxyphthalate KEGG COMPOUND
3,4-dihydroxyphthalic acid UniProt
3,4-Dihydroxyphthalic acid KEGG COMPOUND
Manual Xref Database
C03223 KEGG COMPOUND
View more database links
Registry Number Type Source
82784-82-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014