Details of Metabolite

General Information of MET (ID: META00644)
Name N-Decanoylglycine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Acylglycine c:10; Caprylglycine; Decanoylglycine
Source Aliphatic acyclic compounds
Structure Type   Amino acids, peptides, and analogues  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Carboxylic acids and derivatives
Amino acids, peptides, and analogues
PubChem CID
1712391
HMDB ID
HMDB0013267
Formula
C12H23NO3
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
74430
FooDB ID
FDB029360
ChemSpider ID
1361783
Physicochemical Properties Molecular Weight 229.32 Topological Polar Surface Area 66.4
XlogP 3.2 Complexity 204
Heavy Atom Count 16 Rotatable Bond Count 10
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Function
N-Decanoylglycine is an acylglycine with C-10 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine &#8596; CoA + N-acylglycine.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Hydrolases (EC 3)
            GTPase KRas (KRAS) 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 KRAS
                      Induced Change N-Decanoylglycine concentration: increase (FC = 2.81)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Lung cancer [ICD-11: 2C25]
                      Details It is reported that overexpression of KRAS leads to the increase of N-decanoylglycine levels compared with control group.
References
1 Capturing the metabolomic diversity of KRAS mutants in non-small-cell lung cancer cells. Oncotarget. 2014 Jul 15;5(13):4722-31.

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