1.0 2018-06-25 21:50:41 UTC 2020-03-13 17:33:39 UTC BMDB0062100 BMDB62100 Ethylenediaminetetraacetic acid Edetic acid, also known as edta or edetate, belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Edetic acid is a drug which is used for the reduction of blood levels and depot stores of lead in lead poisoning (acute and chronic) and lead encephalopathy, in both pediatric populations and adults. Edetic acid exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Edetic acid is a potentially toxic compound. (Ethylenedinitrilo)tetraacetic acid, ion(4-) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate Acide edetique Acide ethylenediaminetetracetique Acido edetico Acidum edeticum EDTA EDTA, ion(4-) Ethylenediaminetetraacetate H4EDta N,N'-1,2-ethane diylbis-(N-(carboxymethyl)glycine) {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetIC ACID Ethylenediaminetetraacetic acid Versene acid (Ethylenedinitrilo)tetraacetate, ion(4-) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetate Edetate CaEDTA Calcium disodium edetate Calcium disodium versenate Edetate calcium Edetate calcium disodium EDT Acid, ethylenedinitrilotetraacetic Calcium tetacine Copper edta EDTA, disodium EDTA, distannous Edathamil Edetates Edetic acid, dipotassium salt Edetic acid, disodium salt, dihydrate Edetic acid, disodium, magnesium salt Edetic acid, magnesium salt Ethylenedinitrilotetraacetic acid N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycine) Potassium edta Chromium edta Coprin Dinitrilotetraacetate, ethylene Disodium ethylene dinitrilotetraacetate Distannous edta EDTA, chromium EDTA, dicobalt EDTA, gallium EDTA, magnesium disodium Edetate disodium calcium Edetic acid, disodium salt Edetic acid, monosodium salt Edetic acid, potassium salt Gallium edta Tetacine, calcium Versene Acid, ethylenediaminetetraacetic Calcitetracemate, disodium Chelaton 3 Dinitrilotetraacetate, disodium ethylene Disodium edta EDTA, copper Edetic acid, sodium salt Ethylene dinitrilotetraacetate, disodium Stannous edta Tetracemate Versenate Versenate, calcium disodium Acid, edetic Dicobalt edta Disodium calcitetracemate Disodium versenate, calcium EDTA, potassium EDTA, stannous Edetate, calcium disodium Edetic acid, calcium salt Edetic acid, calcium, sodium salt Edetic acid, chromium salt Edetic acid, disodium, monopotassium salt Edetic acid, monopotassium salt Ethylene dinitrilotetraacetate Magnesium disodium edta Edetic acid C10H16N2O8 292.2426 292.090665498 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid edta 62-33-9 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) KCXVZYZYPLLWCC-UHFFFAOYSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Tetracarboxylic acids and derivatives Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds Trialkylamines Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Carbonyl group Carboxylic acid Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Tetracarboxylic acid or derivatives Aliphatic acyclic compounds ethylenediamine derivative polyamino carboxylic acid tetracarboxylic acid logp -1.25 ALOGPS logs -1.50 ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 2.35 ChemAxon pka_strongest_basic 7.73 ChemAxon iupac 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid ChemAxon average_mass 292.2426 ChemAxon mono_mass 292.090665498 ChemAxon smiles OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O ChemAxon formula C10H16N2O8 ChemAxon inchi InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) ChemAxon inchikey KCXVZYZYPLLWCC-UHFFFAOYSA-N ChemAxon polar_surface_area 155.68 ChemAxon refractivity 62.35 ChemAxon polarizability 25.64 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 50958 Specdb::MsMs 50959 Specdb::MsMs 50960 Specdb::MsMs 171294 Specdb::MsMs 171295 Specdb::MsMs 171296 Specdb::MsMs 3219856 Specdb::MsMs 3219857 Specdb::MsMs 3219858 Specdb::MsMs 3219859 Specdb::MsMs 3219860 Specdb::MsMs 3219861 Specdb::CMs 1958 Specdb::CMs 20159 Specdb::CMs 31585 Specdb::CMs 40564 Specdb::CMs 136619 Specdb::CMs 144353 Specdb::NmrOneD 103138 Specdb::NmrOneD 103139 Specdb::NmrOneD 103140 Specdb::NmrOneD 103141 Specdb::NmrOneD 103142 Specdb::NmrOneD 103143 Specdb::NmrOneD 103144 Specdb::NmrOneD 103145 Specdb::NmrOneD 103146 Specdb::NmrOneD 103147 Specdb::NmrOneD 103148 Specdb::NmrOneD 103149 Specdb::NmrOneD 103150 Specdb::NmrOneD 103151 Specdb::NmrOneD 103152 Specdb::NmrOneD 103153 Specdb::NmrOneD 103154 Specdb::NmrOneD 103155 Specdb::NmrOneD 103156 Specdb::NmrOneD 103157 Milk Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 DB00974 C00284 5826 6049 42191 EDT Edetate Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684