EDT

{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID

Created:	2003-01-16
Last modified:	2011-06-04

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31 entries where EDT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	0

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Chemical Component Summary
Name	{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]ethanoic acid
Formula	C₁₀ H₁₆ N₂ O₈
Molecular Weight	292.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
SMILES	CACTVS	3.341	OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	KCXVZYZYPLLWCC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00974
Name	Edetic acid
Groups	approved vet_approved
Description	A chelating agent (chelating agents) that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive.
Synonyms	(ethylenedinitrilo)tetraacetic acid, ion(4−) {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid EDTA, ion(4-) Acido edetico 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate Acide edetique Edetic acid Acidum edeticum N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine) EDTA Ethylenediaminetetraacetate Acide ethylenediaminetetracetique Ethylenediaminetetraacetic acid
Brand Names	Foam Care Pcmx Surgical Hand Scrub YIGANERJING SuifurSoap
Indication	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.
Categories	Acetates Acids, Acyclic Amines Anticoagulants Calcium Chelating Activity Calcium Chelating Agents Chelating Agents Compounds used in a research, industrial, or household setting Decreased Coagulation Factor Activity Diamines Diet, Food, and Nutrition Ethylenediamines Food Food Additives Food Ingredients Heavy Metal Antagonists Hematologic Agents Lead Chelating Activity Lead Chelator Physiological Phenomena Polyamines Sequestering Agents
CAS number	60-00-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lead	-	unknown	chelator
Iron	-	unknown	chelator
Manganese cation	-	unknown	chelator
Adenosine deaminase	MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVI...	unknown	inhibitor
Serum paraoxonase/lactonase 3	MGKLVALVLLGVGLSLVGEMFLAFRERVNASREVEPVEPENCHLIEELES...	unknown	inhibitor
Cytochrome P450 19A1	MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP...	unknown	substrate
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
PubChem	5232305, 6049
ChEMBL	CHEMBL858
ChEBI	CHEBI:42191
CCDC/CSD	ZARGII, UVOGOC, UVOGIW01, UVOGIW, GAMJUZ01, GONQUX, TUGNOA, TUGNIU, MIGSIH, AQMEDA, GAMJUZ, TAFGAM, TAFFOZ, GUMYUL