Details of Metabolite

General Information of MET (ID: META00217)
Name Thiamine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3-(4-AMINO-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium; Aneurin; Antiberiberi factor; Apate drops; Beatine; Bedome; Begiolan; Benerva; Bequin; Berin; Betalin S; Betaxin; Bethiazine; Beuion; Bevitex; Bevitine; Bewon; Biamine; Bithiamin; Biuno; Bivatin; Bivita; Cernevit-12; Clotiamina; Eskapen; Eskaphen; Hybee; Lixa-beta; Metabolin; Mononitrate, thiamine; Slowten; THD; Thiadoxine; Thiamin; Thiaminal; Thiamine mononitrate; Thiamine(1+) ion; Thiaminium; Thiamol; Thiavit; Tiamidon; Tiaminal; Trophite; VIB; Vetalin S; Vinothiam; Vitamin b 1; Vitamin b1; Vitaneuron
Source Food;Escherichia Coli Metabolite;Yeast Metabolite;Food;Drug;Toxins/Pollutant;Food additives;TCM Ingredients;Microbial
Structure Type   Pyrimidines and pyrimidine derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organoheterocyclic compounds
Diazines
Pyrimidines and pyrimidine derivatives
PubChem CID
1130
HMDB ID
HMDB0000235
Formula
C12H17N4OS
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
C00378
DrugBank ID
DB00152
ChEBI ID
18385
FooDB ID
FDB008424
Physicochemical Properties Molecular Weight 265.36 Topological Polar Surface Area 104
XlogP 1 Complexity 269
Heavy Atom Count 18 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Function
Thiamine or thiamin, also known as vitamin B1, is a colorless compound with the chemical formula C12H17N4OS. It is soluble in water and insoluble in alcohol. Thiamine decomposes if heated. Thiamine was first discovered by Umetaro Suzuki in Japan when researching how rice bran cured patients of Beriberi. Thiamine plays a key role in intracellular glucose metabolism and it is thought that thiamine inhibits the effect of glucose and insulin on arterial smooth muscle cell proliferation. thiamine plays an important role in helping the body convert carbohydrates and fat into energy. It is essential for normal growth and development and helps to maintain proper functioning of the heart and the nervous and digestive systems. Thiamine cannot be stored in the body; however, once absorbed, the vitamin is concentrated in muscle tissue.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Cell adhesion protein (Cadh)
            Cadherin-13 (CDH13) 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 Knockout of Cdh13
                      Induced Change Thiamine concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that knockout of Cdh13 leads to the decrease of thiamine levels compared with control group.
      Drug/metabolite transporter (DMT)
            Solute carrier family 35 member F3 (SLC35F3) 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 Overexpression of SLC35F3
                      Induced Change Thiamine concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Essential hypertension [ICD-11: BA00]
                      Details It is reported that overexpression of SLC35F3 leads to the increase of thiamine levels compared with control group.
      Equilibrative nucleoside transporter (ENT)
            Solute carrier family 29 member 4 (SLC29A4) Click to Show/Hide the Full List of Regulating Pair(s):   2 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair (1) Experim Info click to show the details of experiment for validating this pair [3]
                      Introduced Variation Mutation (138T) of SLC29A4
                      Induced Change Thiamine concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Asperger syndrome [ICD-11: 6A02]
                      Details It is reported that mutation (138T) of SLC29A4 leads to the decrease of thiamine levels compared with control group.
               Regulating Pair (2) Experim Info click to show the details of experiment for validating this pair [3]
                      Introduced Variation Mutation (D326E) of SLC29A4
                      Induced Change Thiamine concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Asperger syndrome [ICD-11: 6A02]
                      Details It is reported that mutation (D326E) of SLC29A4 leads to the decrease of thiamine levels compared with control group.
      Neuropeptide Y (NPY)
            Neuropeptide Y (NPY) Click to Show/Hide the Full List of Regulating Pair(s):   2 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair (1) Experim Info click to show the details of experiment for validating this pair [4]
                      Introduced Variation Antagonist ([D-Trp32]NPY) of Npy
                      Induced Change Thiamine concentration: increase (FC = 2.50)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that antagonist [D-Trp32]NPY of Npy leads to the increase of thiamine levels compared with control group.
               Regulating Pair (2) Experim Info click to show the details of experiment for validating this pair [4]
                      Introduced Variation Overexpression of Npy
                      Induced Change Thiamine concentration: increase (FC = 2.50)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of Npy leads to the increase of thiamine levels compared with control group.
      Oxidoreductases (EC 1)
            Glutamate-cysteine ligase modifier (GCLM) 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 [5]
                      Introduced Variation Knockout of Gclm
                      Induced Change Thiamine concentration: decrease (FC = 0.63)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Metabolic liver disease [ICD-11: 5C90]
                      Details It is reported that knockout of Gclm leads to the decrease of thiamine 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 [6]
                      Introduced Variation Knockout of TP53
                      Induced Change Thiamine concentration: decrease (Log2 FC=0.93)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colon cancer [ICD-11: 2B90]
                      Details It is reported that knockout of TP53 leads to the decrease of thiamine levels compared with control group.
      Reduced folate carrier (RFC)
            Solute carrier family 19 member 2 (SLC19A2) 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 [7]
                      Introduced Variation Overexpression of SLC19A2
                      Induced Change Thiamine concentration: increase (FC = 5)
                      Summary Introduced Variation         Induced Change 
                      Disease Status TRMA syndrome [ICD-11: 5C63]
                      Details It is reported that overexpression of SLC19A2 leads to the increase of thiamine levels compared with control group.
            Solute carrier family 19 member 3 (SLC19A3) 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 [8]
                      Introduced Variation Overexpression of SLC19A3
                      Induced Change Thiamine concentration: increase (FC = 3.5)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of SLC19A3 leads to the increase of thiamine levels compared with control group.
References
1 Cadherin 13: human cis-regulation and selectively-altered addiction phenotypes and cerebral cortical dopamine in knockout mice. Mol Med. 2016 Oct;22:537-547.
2 Genetic implication of a novel thiamine transporter in human hypertension. J Am Coll Cardiol. 2014 Apr 22;63(15):1542-55.
3 Autism spectrum disorder associated with low serotonin in CSF and mutations in the SLC29A4 plasma membrane monoamine transporter (PMAT) gene. Mol Autism. 2014 Aug 13;5:43.
4 Effects of neuropeptide Y (NPY) and [D-Trp32]NPY on monoamine and metabolite levels in dialysates from rat hypothalamus during feeding behavior. Neuropeptides. 1996 Aug;30(4):391-8.
5 Hepatic metabolic adaptation in a murine model of glutathione deficiency. Chem Biol Interact. 2019 Apr 25;303:1-6.
6 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.
7 The gene mutated in thiamine-responsive anaemia with diabetes and deafness (TRMA) encodes a functional thiamine transporter. Nat Genet. 1999 Jul;22(3):305-8.
8 SLC19A3 encodes a second thiamine transporter ThTr2. Biochim Biophys Acta. 2001 Nov 29;1537(3):175-8.

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