Chemical Components in the PDB

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PEG : Summary

Code

PEG

One-letter code

X

Molecule name

DI(HYDROXYETHYL)ETHER

Systematic names

ProgramVersionName
ACDLabs 12.01 2,2'-oxydiethanol
OpenEye OEToolkits 1.7.6 2-(2-hydroxyethyloxy)ethanol

Formula

C4 H10 O3

Formal charge

0

Molecular weight

106.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCCOCCO
SMILES CACTVS 3.370 OCCOCCO
SMILES OpenEye OEToolkits 1.7.6 C(COCCO)O
Canonical SMILES CACTVS 3.370 OCCOCCO
Canonical SMILES OpenEye OEToolkits 1.7.6 C(COCCO)O

IUPAC InChI

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

IUPAC InChI key

MTHSVFCYNBDYFN-UHFFFAOYSA-N
PEG

wwPDB Information

Atom count

17 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2012-07-20

Status

Released

Obsoleted

Not Assigned