CHEBI:17199 - 4,5-dihydroxyphthalic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4,5-dihydroxyphthalic acid ChEBI ID CHEBI:17199 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1746, CHEBI:11924, CHEBI:20273 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H6O6 Net Charge 0 Average Mass 198.12964 Monoisotopic Mass 198.01644 InChI InChI=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) InChIKey YZBCICVNBHNLTK-UHFFFAOYSA-N SMILES OC(=O)c1cc(O)c(O)cc1C(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 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 4,5-dihydroxyphthalate(2−) (CHEBI:58051) is conjugate base of 4,5-dihydroxyphthalic acid (CHEBI:17199) IUPAC Name 4,5-dihydroxyphthalic acid Synonyms Sources 4,5-Dihydroxyphthalate KEGG COMPOUND 4,5-Dihydroxyphthalic acid KEGG COMPOUND Manual Xrefs Databases c0183 UM-BBD C03233 KEGG COMPOUND View more database links Registry Number Type Source 63958-66-7 CAS Registry Number KEGG COMPOUND Last Modified 26 April 2021