Bovine Metabolome Database: Showing metabocard for Gentisic acid (BMDB0000152)

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Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 22:20:14 UTC

Update Date

2020-04-22 15:02:10 UTC

BMDB ID

BMDB0000152

Secondary Accession Numbers

BMDB00152

Metabolite Identification

Common Name

Gentisic acid

Description

Gentisic acid, also known as gentisate or 2,5-dioxybenzoate, 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. Gentisic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Gentisic acid exists in all living organisms, ranging from bacteria to humans.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2,5-Dihydroxybenzoate	ChEBI
5-Hydroxysalicylic acid	ChEBI
Gentisate	ChEBI
Hydroquinonecarboxylic acid	ChEBI
2,5-Dihydroxybenzoic acid	Kegg
5-Hydroxysalicylate	Generator
Hydroquinonecarboxylate	Generator
2,5-Dioxybenzoate	HMDB
2,5-Dioxybenzoic acid	HMDB
3,6-Dihydroxybenzoate	HMDB
3,6-Dihydroxybenzoic acid	HMDB
5-Hydroxy-salicylate	HMDB
5-Hydroxy-salicylic acid	HMDB
Carboxyhydroquinone	HMDB
Dihydroxybenzoicacid	HMDB
Gensigen	HMDB
Gensigon	HMDB
Gentisinate	HMDB
Gentisinic acid	HMDB
2,5-Dihydroxybenzoic acid, monosodium salt	HMDB
Lithium 2,5-dihydroxybenzoate	HMDB
Gentisic acid	ChEBI
Hydroquinone carboxylic acid	HMDB

Chemical Formula

C₇H₆O₄

Average Molecular Weight

154.121

Monoisotopic Molecular Weight

154.026608673

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

490-79-9

SMILES

Not Available

InChI Identifier

InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)

InChI Key

WXTMDXOMEHJXQO-UHFFFAOYSA-N

Chemical Taxonomy

Description

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.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Hydroxybenzoic acid derivatives

Alternative Parents