CHEBI:36241 - 3,4-dihydroxybenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4-dihydroxybenzoate
ChEBI ID CHEBI:36241
Definition A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11694, CHEBI:14955, CHEBI:19878
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C7H5O4
Net Charge -1
Average Mass 153.112
Monoisotopic Mass 153.019
InChI InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1
InChIKey YQUVCSBJEUQKSH-UHFFFAOYSA-M
SMILES C(=O)(C1=CC(=C(C=C1)O)O)[O-]
ChEBI Ontology
Outgoing 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 3,4-dihydroxybenzoic acid (CHEBI:36062) is conjugate acid of 3,4-dihydroxybenzoate (CHEBI:36241)
IUPAC Name
3,4-dihydroxybenzoate
Synonyms Sources
3,4-dihydroxybenzoate UniProt
3,4-Dihydroxybenzoate KEGG COMPOUND
4,5-dihydroxybenzoate ChEBI
Database Links Databases
3-4-DIHYDROXYBENZOATE MetaCyc
C00230 KEGG COMPOUND
c0120 UM-BBD
DB03946 DrugBank
View more database links
Registry Number Type Source
4921766 Reaxys Registry Number Reaxys
Last Modified
05 July 2016