Details of Metabolite

General Information of MET (ID: META00485)
Name Phenylpropiolic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3-Phenyl-2-propynoate; 3-Phenyl-2-propynoic acid; 3-Phenyl-propiolate; 3-Phenyl-propiolic acid; 3-Phenylpropiolate; 3-Phenylpropiolic acid; 3-Phenylpropynoate; 3-Phenylpropynoic acid; Phenyl-(8ci)propiolate; Phenyl-(8ci)propiolic acid; Phenyl-propiolate; Phenyl-propiolic acid; Phenylacetylene monocarboxylate; Phenylacetylene monocarboxylic acid; Phenylacetylenecarboxylate; Phenylacetylenecarboxylic acid; Phenylpropiolate; Phenylpropioplate; Phenylpropioplic acid; Phenylpropynoate; Phenylpropynoic acid; b-Phenylpropargylate; b-Phenylpropargylic acid; beta-Phenylpropargylic acid
Source Plant;Metabolite;Food;Plant Metabolite
Structure Type   Benzene and substituted derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Benzene and substituted derivatives
PubChem CID
69475
HMDB ID
HMDB0002359
Formula
C9H6O2
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
90355
FooDB ID
FDB022977
ChemSpider ID
62682
METLIN ID
6644
Physicochemical Properties Molecular Weight 146.14 Topological Polar Surface Area 37.3
XlogP 2 Complexity 200
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Function
Phenylpropiolic acid is one of a number of phenylpropanoid, natural products occurring in plants pathways involved in plant resistance providing building units of physical barriers against pathogen invasion, synthesizing an array of antibiotic compounds, and producing signals implicated in the mounting of plant resistance. Phenylpropiolic acid is a cis-pyrrolidinone that has been tested as an inhibitors of type II 17beta-hydroxysteroid dehydrogenase for the treatment of osteoporosis.
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 Phenylpropiolic 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 phenylpropiolic 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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