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CHEBI:36241 - 3,4-dihydroxybenzoate

ChEBI IDCHEBI:36241
ChEBI Name3,4-dihydroxybenzoate
Stars
DefinitionA dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions.
Secondary ChEBI IDsCHEBI:11694, CHEBI:14955, CHEBI:19878
Last Modified5 July 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H5O4
Net Charge-1
Average Mass153.113
Monoisotopic Mass153.01933
SMILESO=C([O-])c1ccc(O)c(O)c1
InChIInChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1
InChIKeyYQUVCSBJEUQKSH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxybenzoate (CHEBI:36241) has functional parent benzoate (CHEBI:16150)
3,4-dihydroxybenzoate (CHEBI:36241) is a dihydroxybenzoate (CHEBI:36084)
3,4-dihydroxybenzoate (CHEBI:36241) is conjugate base of 3,4-dihydroxybenzoic acid (CHEBI:36062)
Incoming Relation(s)
3,4-dihydroxybenzoic acid (CHEBI:36062) is conjugate acid of 3,4-dihydroxybenzoate (CHEBI:36241)
IUPAC Name 
3,4-dihydroxybenzoate
Synonyms  Source
3,4-DihydroxybenzoateKEGG COMPOUND
4,5-dihydroxybenzoateChEBI
UniProt Name  Source
3,4-dihydroxybenzoateUniProt
Manual XrefsDatabases
3-4-DIHYDROXYBENZOATEMetaCyc
C00230KEGG COMPOUND
c0120UM-BBD
DB03946DrugBank
Registry NumbersSources
Reaxys:4921766Reaxys