Details of Metabolite

General Information of MET (ID: META00936)
Name 6-Methylmercaptopurine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
6-Methylmercaptopurine; 6-Methylthiopurine; Methylmercaptopurine; Thiopurine S-methylether
Source Endogenous
Structure Type   Purines and purine derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organoheterocyclic compounds
Imidazopyrimidines
Purines and purine derivatives
PubChem CID
5778
HMDB ID
HMDB0060412
Formula
C6H6N4S
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
C16614
ChEBI ID
28279
Physicochemical Properties Molecular Weight 166.21 Topological Polar Surface Area 79.8
XlogP 1.1 Complexity 143
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Function
6-Methylmercaptopurine is a metabolite of mercaptopurine. Mercaptopurine (also called 6-mercaptopurine, 6-MP or its brand name Purinethol) is an immunosuppressive drug. It is a thiopurine.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            R2R3-MYB (AN2) 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 Overexpression of AN2
                      Induced Change 6-Methylmercaptopurine concentration: decrease (FC = 0.50)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the decrease of 6-methylmercaptopurine levels compared with control group.
References
1 Comprehensive Influences of Overexpression of a MYB Transcriptor Regulating Anthocyanin Biosynthesis on Transcriptome and Metabolome of Tobacco Leaves. Int J Mol Sci. 2019 Oct 16;20(20):5123.

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