Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 22:58:37 UTC
Update Date2022-09-01 02:27:48 UTC
Metabolite IDMMDBc0054204
Metabolite Identification
Common Name2,5-dihydroxybenzoic acid
Description2,5-dihydroxybenzoate, also known as 5-hydroxysalicylate or gentisate, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. 2,5-dihydroxybenzoate is an extremely weak basic (essentially neutral) compound (based on its pKa). A dihydroxybenzoate that is the conjugate base of 2,5-dihydroxybenzoic acid; major species at pH 7.3.
Structure
Synonyms
ValueSource
2,5-Dihydroxybenzoate anionChEBI
5-HydroxysalicylateChEBI
GentisateChEBI
HydroquinonecarboxylateChEBI
2,5-Dihydroxybenzoic acid anionGenerator
5-Hydroxysalicylic acidGenerator
Gentisic acidGenerator
Hydroquinonecarboxylic acidGenerator
2,5-Dihydroxybenzoic acidGenerator
Molecular FormulaC7H5O4
Average Mass153.114
Monoisotopic Mass153.019332221
IUPAC Name2,5-dihydroxybenzoate
Traditional Namegentisate
CAS Registry NumberNot Available
SMILES
OC1=CC=C(O)C(=C1)C([O-])=O
InChI Identifier
InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/p-1
InChI KeyWXTMDXOMEHJXQO-UHFFFAOYSA-M