Details of Metabolite

General Information of MET (ID: META00619)
Name N-Acetylvaline
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(2S)-2-Acetamido-3-methylbutanoate; (2S)-2-Acetamido-3-methylbutanoic acid; (S)-2-Acetamido-3-methylbutanoic acid; 2-Acetamido-3-methylbutanoic acid; Acetyl-val; Acetylvaline; L-N-Acetylvaline; N-Acetyl-D,L-valine; N-Acetyl-DL-valine; N-Acetyl-L-valine; N-Acetylvaline; N-Acetylvaline, (D)-isomer; N-Acetylvaline, (L)-isomer
Source Endogenous;Food
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
66789
HMDB ID
HMDB0011757
Formula
C7H13NO3
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
21565
FooDB ID
FDB028427
ChemSpider ID
60154
Physicochemical Properties Molecular Weight 159.18 Topological Polar Surface Area 66.4
XlogP N.A. Complexity 165
Heavy Atom Count 11 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Function
N-Acetylvaline (CAS: 3067-19-4) belongs to the class of organic compounds known as valine and derivatives. Valine and derivatives are compounds containing valine or a derivative thereof resulting from a reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-Acetylvaline is an extremely weak basic (essentially neutral) compound (based on its pKa). N-Acetylvaline is a derivative of valine, which is a branched-chain essential amino acid involved in carbohydrate metabolism. Valine deficiency is marked by neurological defects in the brain. Valine has also been established as a useful supplemental therapy to the ailing liver.
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-Acetylvaline concentration: decrease (FC = 0.80)
                      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-acetylvaline 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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