Details of Metabolite

General Information of MET (ID: META01223)
Name Muramyl Dipeptide
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Muramyl Dipeptide; muramyldipeptide; CHEBI:59414; 87420-48-2; MurNAc-L-Ala-gamma-D-Glu; Acetylmuramyl-L-alanyl-D-isoglutamine; (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid; (4r)-4-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6r)-5-Acetamido-2-(Hydroxymethyl)-3,6-Bis(Oxidanyl)oxan-4-Yl]oxypropanoyl]amino]propanoyl]amino]-5-Azanyl-5-Oxidanylidene-Pentanoic Acid
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
451714
Formula
C19H32N4O11
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=451714"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 492.5 Topological Polar Surface Area 247
XlogP -3.7 Complexity 765
Heavy Atom Count 34 Rotatable Bond Count 12
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 11
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Proton-dependent oligopeptide transporter (POT/PTR)
            Solute carrier family 15 member 4 (SLC15A4) 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 (L14A, L15A, L318A, V319A) of SLC15A4
                      Induced Change Muramyl Dipeptide concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that mutation (L14A and L15A or L318A and V319A) of SLC15A4 leads to the increase of muramyl dipeptide levels compared with control group.
References
1 Functional Characterization of Human Peptide/Histidine Transporter 1 in Stably Transfected MDCK Cells. Mol Pharm. 2018 Feb 5;15(2):385-393.

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