Details of Metabolite

General Information of MET (ID: META01269)
Name Ethyl 3,4-dihydroxybenzoate
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Ethyl 3,4-dihydroxybenzoate; 3943-89-3; Ethyl protocatechuate; 3,4-Dihydroxybenzoic Acid Ethyl Ester; Ethyl-3,4-dihydroxybenzoate; Benzoic acid, 3,4-dihydroxy-, ethyl ester; MFCD00002199; Protocatechuic acid ethyl ester; UNII-4YGJ96WTBG; 4YGJ96WTBG; CHEMBL486216; 3,4-Dihydroxy-benzoic acid ethyl ester; Ethyl 3,4-dihydroxybenzoate (Protocatechuic acid ethyl ester); Ethyl 3,4-dihydroxybenzoate, 97%; 3,4-Dihydroxybenzoicacidethylester; EINECS 223-529-0; NSC 86130; PubChem4051; ACMC-1CJ7A
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
76900
Formula
C9H10O4
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=76900"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 182.17 Topological Polar Surface Area 66.8
XlogP 1.8 Complexity 181
Heavy Atom Count 13 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
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 Ethyl 3,4-dihydroxybenzoate concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of ethyl 3,4-dihydroxybenzoate 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.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.