Details of Metabolite

General Information of MET (ID: META00224)
Name Thymine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2,4-Dihydroxy-5-methylpyrimidine; 4-Hydroxy-5-methylpyrimidin-2(1H)-one; 5 Methyluracil; 5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione; 5-Methyl-2,4(1H,3H)-pyrimidinedione; 5-Methyl-2,4-dihydroxypyrimidine; 5-Methylpyrimidine-2,4(1H,3H)-dione; 5-Methylpyrimidine-2,4-dione; 5-Methyluracil; T; Thy; Thymin
Source Aromatic heteromonocyclic compounds
Structure Type   Pyrimidines and pyrimidine derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organoheterocyclic compounds
Diazines
Pyrimidines and pyrimidine derivatives
PubChem CID
1135
HMDB ID
HMDB0000262
Formula
C5H6N2O2
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=1135"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C00178
DrugBank ID
DB03462
ChEBI ID
17821
FooDB ID
FDB021922
ChemSpider ID
1103
METLIN ID
290
Physicochemical Properties Molecular Weight 126.11 Topological Polar Surface Area 58.2
XlogP -0.6 Complexity 195
Heavy Atom Count 9 Rotatable Bond Count N.A.
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Function
One of the pyrimidine bases of living matter. Derivation: Hydrolysis of deoxyribonucleic acid, from methylcyanoacetylurea by catalytic reduction. Use: Biochemical research. (Hawley's Condensed Chemical Dictionary). Thymine is a pyrimidine nucleobase. As the name implies, thymine may be derived by methylation of uracil at the 5th carbon. Thymine is found in the nucleic acid DNA. In RNA thymine is replaced with uracil in most cases. In DNA, thymine binds to adenine via two hydrogen bonds to assist in stabilizing the nucleic acid structures.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Hydrolases (EC 3)
            Leukotriene-C4 hydrolase (GGT1) 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 Knockdown (siRNA) of GGT1
                      Induced Change Thymine concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Renal cell carcinoma [ICD-11: 2C90]
                      Details It is reported that knockdown of GGT1 leads to the increase of thymine levels compared with control group.
            Sulfatase sulf-1 (SULF1) 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 [2]
                      Introduced Variation Knockdown (shRNA) of SULF1
                      Induced Change Thymine concentration: decrease (FC = 0.41)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Ovarian cancer [ICD-11: 2C73]
                      Details It is reported that knockdown of SULF1 leads to the decrease of thymine levels compared with control group.
      Pore-forming PNC peptide (PNC)
            Cellular tumor antigen p53 (TP53) 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 [3]
                      Introduced Variation Knockout of TP53
                      Induced Change Thymine concentration: increase (Log2 FC=1.76)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colon cancer [ICD-11: 2B90]
                      Details It is reported that knockout of TP53 leads to the increase of thymine levels compared with control group.
References
1 Impairment of gamma-glutamyl transferase 1 activity in the metabolic pathogenesis of chromophobe renal cell carcinoma. Proc Natl Acad Sci U S A. 2018 Jul 3;115(27):E6274-E6282.
2 Erratum to: Loss of HSulf-1 promotes altered lipid metabolism in ovarian cancer. Cancer Metab. 2014 Nov 4;2:24.
3 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.

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