Details of Metabolite

General Information of MET (ID: META00689)
Name Pyrraline
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2-Amino-6-(2-formyl-5-hydroxymethylpyrrol-1-yl)hexanoic acid; 2-Amino-6-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]hexanoate; 2-FHMPN; 2-Formyl-5-(hydroxymethyl)pyrrole-1-norleucine; Pyrraline
Source 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
14274616
HMDB ID
HMDB0033143
Formula
C12H18N2O4
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=14274616"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
FooDB ID
FDB011144
ChemSpider ID
19980286
Physicochemical Properties Molecular Weight 254.28 Topological Polar Surface Area 106
XlogP -3 Complexity 285
Heavy Atom Count 18 Rotatable Bond Count 8
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Function
Pyrraline is Maillard produced, obtained by reaction between <ht>BCS47-B</ht> and <ht>HHS42-T</ht>.
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 Pyrraline concentration: decrease (FC = 0.45)
                      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 pyrraline 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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