Details of Metabolite

General Information of MET (ID: META00535)
Name Diethanolamine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2-[(2-Hydroxyethyl)amino]ethanol; Aliphatic amine; Bis(2-hydroxyethyl)amine; Bis(2-hydroxyethyl)tallow amine oxide; Bis(hydroxyethyl)amine; Bis-(2-hydroxy-ethyl)-amine; Bis-2-hydroxyethylamine; DEA; Di(2-hydroxyethyl)amine; Di(beta-hydroxyethyl)amine; Diaethanolamin; Diethanolamin; Diethanolamine; Diethylolamine; Diolamine; H2dEa; Iminodiethanol', N,N'-Iminodiethanol, 'N,N-Bis(2-hydroxyethyl)amine; N,N-Di(2-hydroxyethyl)amine; N,N-Di(hydroxyethyl)amine', 2,2'-Dihydroxydiethylamine, 2,2'-Iminobis, 2,2'-Iminobisethanol, 2,2'-Iminodi-1-ethanol, 2,2'-Iminodiethanol, 2,2'Iminobisethanol, '2-(2-Hydroxyethylamino)ethanol
Source Synthetic;Escherichia Coli Metabolite;Food;Toxins/Pollutant;Cosmetic;Microbial
Structure Type   Amines  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic nitrogen compounds
Organonitrogen compounds
Amines
PubChem CID
8113
HMDB ID
HMDB0004437
Formula
C4H11NO2
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
C06772
ChEBI ID
28123
FooDB ID
FDB023372
ChemSpider ID
13835604
METLIN ID
3239
Physicochemical Properties Molecular Weight 105.14 Topological Polar Surface Area 52.5
XlogP -1.4 Complexity 28.9
Heavy Atom Count 7 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
Function
Diethanolamine, often abbreviated as DEA, is an organic chemical compound which is both a secondary amine and a dialcohol. A dialcohol has two hydroxyl groups in its molecule. Like other amines, diethanolamine acts as a weak base. Diethanolamine is widely used in the preparation of diethanolamides and diethanolamine salts of long-chain fatty acids that are formulated into soaps and surfactants used in liquid laundry and dishwashing detergents, cosmetics, shampoos, and hair conditioners. Diethanolamine is also used in textile processing, in industrial gas purification to remove acid gases, as an anticorrosion agent in metalworking fluids, and in preparations of agricultural chemicals. Aqueous diethanolamine solutions are used as solvents for numerous drugs that are administered intravenously.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Lyases (EC 4)
            Cystathionine gamma-lyase (CTH) 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 Cth
                      Induced Change Diethanolamine concentration: decrease (FC = 0.39)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Organic acid disorderss [ICD-11: 5C50]
                      Details It is reported that knockout of Cth leads to the decrease of diethanolamine 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 [2]
                      Introduced Variation Knockout of TP53
                      Induced Change Diethanolamine concentration: decrease (Log2 FC=0.75)
                      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 diethanolamine levels compared with control group.
References
1 Hydrogen Sulfide Is a Regulator of Hemoglobin Oxygen-Carrying Capacity via Controlling 2,3-BPG Production in Erythrocytes. Oxid Med Cell Longev. 2021 Feb 13;2021:8877691.
2 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.

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