Details of Metabolite

General Information of MET (ID: META00761)
Name N-Acetylkynurenine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Acetylkynurenine; N-Acetylkynurenine; Nalpha-Acetyl-L-kynurenine
Source Aromatic homomonocyclic compounds
Structure Type   Carbonyl compounds  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
PubChem CID
54201144
HMDB ID
HMDB0240342
Formula
C12H14N2O4
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 250.25 Topological Polar Surface Area 110
XlogP 0.4 Complexity 343
Heavy Atom Count 18 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Function
N-Acetylkynurenine (CAS: 2044-53-3) belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. N-Acetylkynurenine has been identified in urine.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Apolipoprotein (Apo)
            Apolipoprotein A-II (APOA2) 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 Mutation (-265T >C(rs5082)) of APOA2
                      Induced Change N-Acetylkynurenine concentration: decrease (FC = 0.36)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Obesity [ICD-11: 5B81]
                      Details It is reported that mutation (-265T >C(rs5082)) of APOA2 leads to the decrease of N-acetylkynurenine levels compared with control group.
References
1 Epigenomics and metabolomics reveal the mechanism of the APOA2-saturated fat intake interaction affecting obesity. Am J Clin Nutr. 2018 Jul 1;108(1):188-200.

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