NTA

NITRILOTRIACETIC ACID

Created:	1999-09-02
Last modified:	2024-09-27

Find Related PDB Entry
6 entries where NTA is found as a standalone ligand1 entries where NTA is found in a polymer sequence

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	NITRILOTRIACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-(bis(carboxymethyl)amino)ethanoic acid
Formula	C₆ H₉ N O₆
Molecular Weight	191.139
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CN(CC(=O)O)CC(=O)O
SMILES	CACTVS	3.341	OC(=O)CN(CC(O)=O)CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)N(CC(=O)O)CC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CN(CC(O)=O)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)N(CC(=O)O)CC(=O)O
InChI	InChI	1.03	InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey	InChI	1.03	MGFYIUFZLHCRTH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03040
Name	Nitrilotriacetic acid
Groups	experimental
Description	Nitrilotriacetic acid is a derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)
Synonyms	Triglycollamic acid Nitrilotriacetic acid Triglycine Nitrilotriacetate nitrilo-2,2',2''-triacetic acid α,α',α''-trimethylaminetricarboxylic acid
Categories	Acetates Acids, Acyclic Amino Acids, Peptides, and Proteins Chelating Agents Compounds used in a research, industrial, or household setting Peptides Sequestering Agents
CAS number	139-13-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lactotransferrin	MKLVFLVLLFLGALGLCLAGRRRSVQWCAVSQPEATKCFQWQRNMRKVRG...	unknown	inhibitor

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