Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ME2 : Summary

Code

ME2

One-letter code

X

Molecule name

1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE

Systematic names

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

Formula

C7 H16 O3

Formal charge

0

Molecular weight

148.2 Da

SMILES

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

IUPAC InChI

InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3

IUPAC InChI key

CNJRPYFBORAQAU-UHFFFAOYSA-N
ME2

wwPDB Information

Atom count

26 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-06-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned