Details of Metabolite

General Information of MET (ID: META00908)
Name Methyl nicotinate
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3-(Carbomethoxy)pyridine; 3-(Methoxycarbonyl)pyridine; 3-Carbomethoxypyridine; 3-Pyridinecarboxylic acid, methyl ester; 3PyrCOOMe; FEMA 3709; Heat spray; Methyl 3-pyridinecarboxylate; Methyl ester OF pyridine-3-carboxylic acid; Methyl nicotinic acid; Methyl-nicotinate; Methylnicotinate; Nicometh; Nicotinic acid methyl ester; Nicotinic acid, methyl ester; Nikomet; m-(Methoxycarbonyl)pyridine
Source Endogenous;Food;Cosmetic;Food additives;TCM Ingredients
Structure Type   Pyridinecarboxylic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organoheterocyclic compounds
Pyridines and derivatives
Pyridinecarboxylic acids and derivatives
PubChem CID
7151
HMDB ID
HMDB0029806
Formula
C7H7NO2
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
DrugBank ID
DB13882
ChEBI ID
451700
FooDB ID
FDB001015
ChemSpider ID
21111785
Physicochemical Properties Molecular Weight 137.14 Topological Polar Surface Area 39.2
XlogP 0.8 Complexity 125
Heavy Atom Count 10 Rotatable Bond Count 2
Hydrogen Bond Donor Count N.A. Hydrogen Bond Acceptor Count 3
Function
Methyl nicotinate is found in alcoholic beverages. Methyl nicotinate is a flavouring ingredient. Methyl nicotinate is present in guava fruit, papaya, strawberry, soursop (Annona muricata), beer, grape brandy, coffee, roasted filbert, roasted peanut and Bourbon vanill
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 Methyl nicotinate concentration: decrease (FC = 0.26)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the decrease of methyl nicotinate 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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