Chemical Components in the PDB

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1PG : Summary

Code

1PG

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 10.04 2,5,8,11,14-pentaoxahexadecan-16-ol
OpenEye OEToolkits 1.5.0 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

Formula

C11 H24 O6

Formal charge

0

Molecular weight

252.305 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CCO)CCOCCOCCOCCOC
SMILES CACTVS 3.341 COCCOCCOCCOCCOCCO
SMILES OpenEye OEToolkits 1.5.0 COCCOCCOCCOCCOCCO
Canonical SMILES CACTVS 3.341 COCCOCCOCCOCCOCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 COCCOCCOCCOCCOCCO

IUPAC InChI

InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3

IUPAC InChI key

SLNYBUIEAMRFSZ-UHFFFAOYSA-N
1PG

wwPDB Information

Atom count

41 (17 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

2011-06-04

Status

Released

Obsoleted

Not Assigned