Details of Metabolite

General Information of MET (ID: META00321)
Name N-Acetyl-L-alanine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(S)-(-)-N-Acetylalanine; (S)-2-(Acetylamino)propanoate; (S)-2-(Acetylamino)propanoic acid; (S)-N-Acetylalanine; 2-Acetamidopropionate; 2-Acetamidopropionic acid; Ac-ala-OH; Acetyl-L-alanine; Acetylalanine; L-N-Acetylalanine; N-Acetyl-(S)-alanine; N-Acetyl-L-alpha-alanine; N-Acetyl-S-alanine; N-Acetylalanine
Source Endogenous;Escherichia Coli Metabolite;Yeast Metabolite;Food;Drug;Microbial
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
88064
HMDB ID
HMDB0000766
Formula
C5H9NO3
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
DrugBank ID
DB02518
ChEBI ID
40992
FooDB ID
FDB022231
ChemSpider ID
79449
METLIN ID
5733
Physicochemical Properties Molecular Weight 131.13 Topological Polar Surface Area 66.4
XlogP -0.9 Complexity 132
Heavy Atom Count 9 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Function
N-Acetyl-L-alanine is a substrate for Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Myelin basic protein, GTP-binding nuclear protein Ran, Tropomyosin alpha 4 chain, HIV-1 Rev binding protein 2, Xaa-Pro dipeptidase, Thymosin beta-10, Actin-like protein 3, Alanine aminotransferase, Serine/threonine protein phosphatase PP1-beta catalytic subunit, 10 kDa heat shock protein (mitochondrial), Calmodulin and Beta-1-syntrophin. N-Acetyl-L-alanine has been identified in the human placenta.
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-Acetyl-L-alanine concentration: decrease (FC = 0.81)
                      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-acetyl-L-alanine levels compared with control group.
      Hydrolases (EC 3)
            Sulfatase sulf-1 (SULF1) 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 [2]
                      Introduced Variation Knockdown (shRNA) of SULF1
                      Induced Change N-Acetyl-L-alanine concentration: decrease (FC = 0.70 / 0.73)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Ovarian cancer [ICD-11: 2C73]
                      Details It is reported that knockdown of SULF1 leads to the decrease of N-acetyl-L-alanine levels compared with control group.
      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 [3]
                      Introduced Variation Knockout of TP53
                      Induced Change N-Acetyl-L-alanine concentration: decrease (Log2 FC=0.68)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colon cancer [ICD-11: 2B90]
                      Details It is reported that knockout of TP53 leads to the decrease of N-acetyl-L-alanine 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.
2 Erratum to: Loss of HSulf-1 promotes altered lipid metabolism in ovarian cancer. Cancer Metab. 2014 Nov 4;2:24.
3 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.

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