Chemical Components in the PDB

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PG5 : Summary

Code

PG5

One-letter code

X

Molecule name

1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 2,5,8,11-tetraoxadodecane
OpenEye OEToolkits 1.5.0 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

Formula

C8 H18 O4

Formal charge

0

Molecular weight

178.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(C)CCOCCOCCOC
SMILES CACTVS 3.341 COCCOCCOCCOC
SMILES OpenEye OEToolkits 1.5.0 COCCOCCOCCOC
Canonical SMILES CACTVS 3.341 COCCOCCOCCOC
Canonical SMILES OpenEye OEToolkits 1.5.0 COCCOCCOCCOC

IUPAC InChI

InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3

IUPAC InChI key

YFNKIDBQEZZDLK-UHFFFAOYSA-N
PG5

wwPDB Information

Atom count

30 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned