Chemical Components in the PDB

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NTA : Summary

Code

NTA

One-letter code

X

Molecule name

NITRILOTRIACETIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2,2',2''-nitrilotriacetic acid
OpenEye OEToolkits 1.5.0 2-(bis(carboxymethyl)amino)ethanoic acid

Formula

C6 H9 N O6

Formal charge

0

Molecular weight

191.139 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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)

IUPAC InChI key

MGFYIUFZLHCRTH-UHFFFAOYSA-N
NTA

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-02

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned