Details of Metabolite

General Information of MET (ID: META00776)
Name 2-Pyrocatechuic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2,3 DHB; 2,3-DIHYDROXY-benzoIC ACID; 2,3-DIHYDROXY-benzoate; 2,3-Dihydroxy benzoic acid; 2,3-Dihydroxybenzoate; 2,3-Dihydroxybenzoic acid; 2-Pyrocatechuate; 2-Pyrocatechuic acid, sodium salt; 3-Hydroxysalicylate; 3-Hydroxysalicylic acid; Catechol-3-carboxylate; Catechol-3-carboxylic acid; Catecholcarboxylate; Catecholcarboxylic acid; DHBA; DOBK; Ferri-2,3-dihydroxybenzoic acid; O-Pyrocatechuate; O-Pyrocatechuic acid; Pyrocatechuate; Pyrocatechuic acid
Source Endogenous;Escherichia Coli Metabolite;Food;Drug;Microbial
Structure Type   Benzoic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
PubChem CID
19
HMDB ID
HMDB0000397
Formula
C7H6O4
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C00196
DrugBank ID
DB01672
ChEBI ID
18026
FooDB ID
FDB012200
ChemSpider ID
18
METLIN ID
5386
Physicochemical Properties Molecular Weight 154.12 Topological Polar Surface Area 77.8
XlogP 1.2 Complexity 157
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Function
2-Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma , and is normally found with increased levels after consumption of many nutrients and drugs, i.e.: cranberry juice , aspirin ingestion. It has been found associated with idiopathic oro-facial pain due to stress (oxidative stress might enhance the production of free radicals); it has been suggested that OH radicals are responsible for the production of many systemic and local tissue injury diseases which may initially manifest as pain syndrome, and 2-Pyrocatechuic acid is a biological marker for the detection and quantification of OH radicals, and patients had significantly increased circulating levels of 2-Pyrocatechuic acid after aspirin ingestion than control subjects.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            R2R3-MYB (AN2) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Overexpression of AN2
                      Induced Change 2-Pyrocatechuic acid concentration: increase (FC = 42.23)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of 2-pyrocatechuic acid levels compared with control group.
References
1 Comprehensive Influences of Overexpression of a MYB Transcriptor Regulating Anthocyanin Biosynthesis on Transcriptome and Metabolome of Tobacco Leaves. Int J Mol Sci. 2019 Oct 16;20(20):5123.

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