Chemical Components in the PDB

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EDT : Summary

Code

EDT

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 10.04 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid
OpenEye OEToolkits 1.5.0 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]ethanoic acid

Formula

C10 H16 N2 O8

Formal charge

0

Molecular weight

292.243 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC 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)

IUPAC InChI key

KCXVZYZYPLLWCC-UHFFFAOYSA-N
EDT

wwPDB Information

Atom count

36 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-01-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned