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CHEBI:140211 - 3-bromo-4,5-dihydroxybenzoate

ChEBI IDCHEBI:140211
ChEBI Name3-bromo-4,5-dihydroxybenzoate
Stars
DefinitionA dihydroxybenzoate that is the conjugate base of 3-bromo-4,5-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified23 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H4BrO4
Net Charge-1
Average Mass232.009
Monoisotopic Mass230.92984
SMILESO=C([O-])c1cc(O)c(O)c(Br)c1
InChIInChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)/p-1
InChIKeyXCTQCHNCFZFEGN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-bromo-4,5-dihydroxybenzoate (CHEBI:140211) is a dihydroxybenzoate (CHEBI:36084)
3-bromo-4,5-dihydroxybenzoate (CHEBI:140211) is conjugate base of 3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242)
Incoming Relation(s)
3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242) is conjugate acid of 3-bromo-4,5-dihydroxybenzoate (CHEBI:140211)
IUPAC Name 
3-bromo-4,5-dihydroxybenzoate
UniProt Name  Source
3-bromo-4,5-dihydroxybenzoateUniProt
Manual XrefsDatabases
CPD-20593MetaCyc
Citations