Chemical Components in the PDB

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P6G : Summary

Code

P6G

One-letter code

X

Molecule name

HEXAETHYLENE GLYCOL

Synonyms

POLYETHYLENE GLYCOL PEG400

Systematic names

ProgramVersionName
ACDLabs 12.01 3,6,9,12,15-pentaoxaheptadecane-1,17-diol
OpenEye OEToolkits 1.7.0 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Formula

C12 H26 O7

Formal charge

0

Molecular weight

282.331 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(CCO)CCOCCOCCOCCOCCO
SMILES CACTVS 3.370 OCCOCCOCCOCCOCCOCCO
SMILES OpenEye OEToolkits 1.7.0 C(COCCOCCOCCOCCOCCO)O
Canonical SMILES CACTVS 3.370 OCCOCCOCCOCCOCCOCCO
Canonical SMILES OpenEye OEToolkits 1.7.0 C(COCCOCCOCCOCCOCCO)O

IUPAC InChI

InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2

IUPAC InChI key

IIRDTKBZINWQAW-UHFFFAOYSA-N
P6G

wwPDB Information

Atom count

45 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-11-29

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned