Chemical Components in the PDB

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P4G : Summary

Code

P4G

One-letter code

X

Molecule name

1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-ethoxy-2-(2-ethoxyethoxy)ethane
OpenEye OEToolkits 1.5.0 1-ethoxy-2-(2-ethoxyethoxy)ethane

Formula

C8 H18 O3

Formal charge

0

Molecular weight

162.227 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CCOCCOCC)CC
SMILES CACTVS 3.341 CCOCCOCCOCC
SMILES OpenEye OEToolkits 1.5.0 CCOCCOCCOCC
Canonical SMILES CACTVS 3.341 CCOCCOCCOCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCOCCOCCOCC

IUPAC InChI

InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3

IUPAC InChI key

RRQYJINTUHWNHW-UHFFFAOYSA-N
P4G

wwPDB Information

Atom count

29 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-05-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned