Details of Metabolite

General Information of MET (ID: META00934)
Name Quinaldine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2-Methyl-quinoline; 2-Methylchinolin; 2-Methylquinoline; 2-Methylquinoline (acd/name 4.0); 2-Methylquinoline hydrochloride; 2-Methylquinoline mesylate; 2-Methylquinoline monosulfate; 2-Methylquinoline sulfate; Chinaldine; Khinaldin; Methylquinoline; Quinaldine blue; Quinaldine sulfate; Quinaldine sulfuric acid; Quinaldine sulphate; Quinaldine sulphuric acid; Quinate; Quinic acid; alpha-Methylquinoline
Structure Type   Quinolines and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organoheterocyclic compounds
Quinolines and derivatives
PubChem CID
7060
HMDB ID
HMDB0042004
Formula
C10H9N
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
132813
ChemSpider ID
13870160
Physicochemical Properties Molecular Weight 143.18 Topological Polar Surface Area 12.9
XlogP 2.6 Complexity 133
Heavy Atom Count 11 Rotatable Bond Count N.A.
Hydrogen Bond Donor Count N.A. Hydrogen Bond Acceptor Count 1
Function
Quinaldine or 2-methylquinoline is a simple derivative of a heterocyclic compound quinoline.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Pore-forming PNC peptide (PNC)
            Cellular tumor antigen p53 (TP53) 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 Knockout of TP53
                      Induced Change Quinaldine concentration: increase (Log2 FC=1.89)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colon cancer [ICD-11: 2B90]
                      Details It is reported that knockout of TP53 leads to the increase of quinaldine levels compared with control group.
References
1 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.

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