Details of Metabolite

General Information of MET (ID: META00659)
Name Edetic Acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(Ethylenedinitrilo)tetraacetate, ion(4-)', 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid, '{[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetate; (Ethylenedinitrilo)tetraacetic acid, ion(4-)', 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate, 'Acide edetique; Acid, edetic; Acid, ethylenediaminetetraacetic; Acid, ethylenedinitrilotetraacetic; Acide ethylenediaminetetracetique; Acido edetico; Acidum edeticum; CaEDTA; Calcitetracemate, disodium; Calcium disodium edetate; Calcium disodium versenate; Calcium tetacine; Chelaton 3; Chromium edta; Copper edta; Coprin; Dicobalt edta; Dinitrilotetraacetate, disodium ethylene; Dinitrilotetraacetate, ethylene; Disodium calcitetracemate; Disodium edta; Disodium ethylene dinitrilotetraacetate; Disodium versenate, calcium; Distannous edta; EDT; EDTA; EDTA, chromium; EDTA, copper; EDTA, dicobalt; EDTA, disodium; EDTA, distannous; EDTA, gallium; EDTA, ion(4-); EDTA, magnesium disodium; EDTA, potassium; EDTA, stannous; Edathamil; Edetate; Edetate calcium; Edetate calcium disodium; Edetate disodium calcium; Edetate, calcium disodium; Edetates; Edetic acid; Edetic acid, calcium salt; Edetic acid, calcium, sodium salt; Edetic acid, chromium salt; Edetic acid, dipotassium salt; Edetic acid, disodium salt; Edetic acid, disodium salt, dihydrate; Edetic acid, disodium, magnesium salt; Edetic acid, disodium, monopotassium salt; Edetic acid, magnesium salt; Edetic acid, monopotassium salt; Edetic acid, monosodium salt; Edetic acid, potassium salt; Edetic acid, sodium salt; Ethylene dinitrilotetraacetate; Ethylene dinitrilotetraacetate, disodium; Ethylenediaminetetraacetate; Ethylenediaminetetraacetic acid; Ethylenedinitrilotetraacetic acid', N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycine), 'Potassium edta; Gallium edta; H4EDta', N,N'-1,2-ethane diylbis-(N-(carboxymethyl)glycine), '{[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetIC ACID; Magnesium disodium edta; Stannous edta; Tetacine, calcium; Tetracemate; Versenate; Versenate, calcium disodium; Versene; Versene acid
Source Synthetic;Drug;Toxins/Pollutant;Cosmetic;Food additives
Structure Type   Tetracarboxylic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Carboxylic acids and derivatives
Tetracarboxylic acids and derivatives
PubChem CID
6049
HMDB ID
HMDB0015109
Formula
C10H16N2O8
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
C00284
DrugBank ID
DB00974
ChEBI ID
42191
ChemSpider ID
5826
Physicochemical Properties Molecular Weight 292.24 Topological Polar Surface Area 156
XlogP -5.9 Complexity 316
Heavy Atom Count 20 Rotatable Bond Count 11
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10
Function
Edetic Acid is only found in individuals that have used or taken this drug. It is a chelating agent (chelating agents) that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive. The pharmacologic effects of edetate calcium disodium are due to the formation of chelates with divalent and trivalent metals. A stable chelate will form with any metal that has the ability to displace calcium from the molecule, a feature shared by lead, zinc, cadmium, manganese, iron and mercury. The amounts of manganese and iron metabolized are not significant. Copper is not mobilized and mercury is unavailable for chelation because it is too tightly bound to body ligands or it is stored in inaccessible body compartments. The excretion of calcium by the body is not increased following intravenous administration of edetate calcium disodium, but the excretion of zinc is considerably increased.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Apolipoprotein (Apo)
            Apolipoprotein A-II (APOA2) 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 (-265T >C(rs5082)) of APOA2
                      Induced Change Edetic Acid concentration: increase (FC = 1.17)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Obesity [ICD-11: 5B81]
                      Details It is reported that mutation (-265T >C(rs5082)) of APOA2 leads to the increase of edetic Acid 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 Edetic Acid concentration: decrease (Log2 FC=0.19)
                      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 edetic Acid levels compared with control group.
References
1 Epigenomics and metabolomics reveal the mechanism of the APOA2-saturated fat intake interaction affecting obesity. Am J Clin Nutr. 2018 Jul 1;108(1):188-200.
2 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.

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