Details of Metabolite

General Information of MET (ID: META00729)
Name N-Acetyl-beta-alanine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3-(Acetylamino)propanoate; 3-(Acetylamino)propanoic acid; 3-(Acetylamino)propionic acid; 3-Acetamidopropanoic acid; 3-Acetamidopropionic acid; N-Acetyl-3-aminopropanoic acid; N-Acetyl-3-aminopropionic acid; N-Acetyl-beta-alanine
Structure Type   Carboxylic acids  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Carboxylic acids and derivatives
Carboxylic acids
PubChem CID
76406
HMDB ID
HMDB0061880
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
KEGG ID
C01073
ChEBI ID
16682
ChemSpider ID
68881
Physicochemical Properties Molecular Weight 131.13 Topological Polar Surface Area 66.4
XlogP -1 Complexity 121
Heavy Atom Count 9 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Function
N-Acetyl-beta-alanine belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. N-Acetyl-beta-alanine has been identified in the human placenta.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transferases (EC 2)
            Arylamine N-acetyltransferase 1 (NAT1) 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 NAT1
                      Induced Change N-Acetyl-beta-alanine concentration: increase (FC = 13.3)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Breast cancer [ICD-11: 2C60]
                      Details It is reported that knockout of NAT1 leads to the increase of N-acetyl-beta-alanine levels compared with control group.
References
1 CRISPR/Cas9 knockout of human arylamine N-acetyltransferase 1 in MDA-MB-231 breast cancer cells suggests a role in cellular metabolism. Sci Rep. 2020 Jun 17;10(1):9804.

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