Chemical Components in the PDB

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211 : Summary

Code

211

One-letter code

X

Molecule name

2,2',2''-NITRILOTRIETHANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 2,2',2''-nitrilotriethanol
OpenEye OEToolkits 1.5.0 2-(bis(2-hydroxyethyl)amino)ethanol

Formula

C6 H15 N O3

Formal charge

0

Molecular weight

149.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCN(CCO)CCO
SMILES CACTVS 3.341 OCCN(CCO)CCO
SMILES OpenEye OEToolkits 1.5.0 C(CO)N(CCO)CCO
Canonical SMILES CACTVS 3.341 OCCN(CCO)CCO
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CO)N(CCO)CCO

IUPAC InChI

InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

IUPAC InChI key

GSEJCLTVZPLZKY-UHFFFAOYSA-N
211

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-07-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned