Chemical Components in the PDB

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PE4 : Summary

Code

PE4

One-letter code

X

Molecule name

2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL

Synonyms

POLYETHYLENE GLYCOL PEG4000

Systematic names

ProgramVersionName
ACDLabs 10.04 3,6,9,12,15,18,21-heptaoxatricosan-1-ol
OpenEye OEToolkits 1.5.0 2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Formula

C16 H34 O8

Formal charge

0

Molecular weight

354.436 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CCOCCO)CCOCCOCCOCCOCCOCC
SMILES CACTVS 3.341 CCOCCOCCOCCOCCOCCOCCOCCO
SMILES OpenEye OEToolkits 1.5.0 CCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES CACTVS 3.341 CCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 CCOCCOCCOCCOCCOCCOCCOCCO

IUPAC InChI

InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3

IUPAC InChI key

PJWQOENWHPEPKI-UHFFFAOYSA-N
PE4

wwPDB Information

Atom count

58 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-08-18

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned