Chemical Components in the PDB

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PG4 : Summary

Code

PG4

One-letter code

X

Molecule name

TETRAETHYLENE GLYCOL

Systematic names

ProgramVersionName
ACDLabs 10.04 2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol
OpenEye OEToolkits 1.5.0 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

Formula

C8 H18 O5

Formal charge

0

Molecular weight

194.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCOCCOCCOCCO
SMILES CACTVS 3.341 OCCOCCOCCOCCO
SMILES OpenEye OEToolkits 1.5.0 C(COCCOCCOCCO)O
Canonical SMILES CACTVS 3.341 OCCOCCOCCOCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 C(COCCOCCOCCO)O

IUPAC InChI

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

IUPAC InChI key

UWHCKJMYHZGTIT-UHFFFAOYSA-N
PG4

wwPDB Information

Atom count

31 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-08-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned