Details of Metabolite

General Information of MET (ID: META00818)
Name Protocatechuic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2,4-Dihydroxybenzoate; 2,4-Dihydroxybenzoic acid; 3,4-DHBA; 3,4-Dihydroxybenzoate; 3,4-Dihydroxybenzoic acid; 4,5-Dihydroxybenzoate; 4,5-Dihydroxybenzoic acid; 4-Carboxy-1,2-dihydroxybenzene; Protocatechuate; Protocatechuic acid, carboxy-14C-labeled; Protocatechuic acid, monosodium salt; Protocatehuate; Protocatehuic acid; b-Resorcylate; b-Resorcylic acid; beta-Resorcylate; beta-Resorcylic acid
Source Food;Yeast Metabolite;Food;Carcinogenic Potency;Drug;Cosmetic;Food additives;TCM Ingredients;p-Coumaric;acid;Microbial; Herbal Ingredients In-Vivo Metabolism
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
72
HMDB ID
HMDB0001856
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
C00230
DrugBank ID
DB03946
ChEBI ID
36062
FooDB ID
FDB000847
ChemSpider ID
71
METLIN ID
6350
Physicochemical Properties Molecular Weight 154.12 Topological Polar Surface Area 77.8
XlogP 1.1 Complexity 157
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Function
Protocatechuic acid, also known as 3,4-dihydroxybenzoic acid (3,4-DHBA), is a natural phenolic compound found in many edible and medicinal plants. Recent studies indicate that it could be used as a protective agent against cardiovascular diseases and neoplasms. The mechanism of its action is mostly associated with antioxidant activity, including inhibition of generation as well as scavenging of free radicals and up-regulating enzymes which participate in their neutralization. Protocatechuic acid is also a microbial metabolite that can be found in Azomonas (https://www.sciencedirect.com/science/article/abs/pii/0378109785903350). Protocatechuic acid is a metabolite formed by the gut microflora detected after the consumption of whole grain.
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 Protocatechuic acid concentration: increase (FC = 10.87)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of protocatechuic 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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