Chemical Components in the PDB

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2ME : Summary

Code

2ME

One-letter code

X

Molecule name

METHOXYETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 ethyl methyl ether
OpenEye OEToolkits 1.5.0 methoxyethane

Formula

C3 H8 O

Formal charge

0

Molecular weight

60.095 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 methoxyethane
SMILES CACTVS 3.341 CCOC
SMILES OpenEye OEToolkits 1.5.0 CCOC
Canonical SMILES CACTVS 3.341 CCOC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCOC

IUPAC InChI

InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3

IUPAC InChI key

XOBKSJJDNFUZPF-UHFFFAOYSA-N
2ME

wwPDB Information

Atom count

12 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned