Details of Metabolite

General Information of MET (ID: META00477)
Name 3-Methylphenylacetic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(3-Methylphenyl)acetate; (3-Methylphenyl)acetic acid; 3-Methylphenylacetate; 3-Tolylacetate; 3-Tolylacetic acid; m-Methylphenylacetate; m-Methylphenylacetic acid; m-Tolylacetate; m-Tolylacetic acid
Source Endogenous;Food
Structure Type   Toluenes  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Benzene and substituted derivatives
Toluenes
PubChem CID
12121
HMDB ID
HMDB0002222
Formula
C9H10O2
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
ChEBI ID
88356
FooDB ID
FDB022916
ChemSpider ID
11623
METLIN ID
6557
Physicochemical Properties Molecular Weight 150.17 Topological Polar Surface Area 37.3
XlogP 1.9 Complexity 143
Heavy Atom Count 11 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Function
3-Methylphenylacetic acid is a hydroaromatic dicarboxylic acids excreted in the urine as metabolite of tolueneacetic acid , itself a metabolite of common herbicides.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Hydrolases (EC 3)
            Leukotriene-C4 hydrolase (GGT1) 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 Knockdown (siRNA) of GGT1
                      Induced Change 3-Methylphenylacetic acid concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Renal cell carcinoma [ICD-11: 2C90]
                      Details It is reported that knockdown of GGT1 leads to the increase of 3-methylphenylacetic acid levels compared with control group.
References
1 Impairment of gamma-glutamyl transferase 1 activity in the metabolic pathogenesis of chromophobe renal cell carcinoma. Proc Natl Acad Sci U S A. 2018 Jul 3;115(27):E6274-E6282.

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