Chemical Components in the PDB

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M2M : Summary

Code

M2M

One-letter code

X

Molecule name

1-METHOXY-2-(2-METHOXYETHOXY)ETHANE

Systematic names

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

Formula

C6 H14 O3

Formal charge

0

Molecular weight

134.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(C)CCOCCOC
SMILES CACTVS 3.341 COCCOCCOC
SMILES OpenEye OEToolkits 1.5.0 COCCOCCOC
Canonical SMILES CACTVS 3.341 COCCOCCOC
Canonical SMILES OpenEye OEToolkits 1.5.0 COCCOCCOC

IUPAC InChI

InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3

IUPAC InChI key

SBZXBUIDTXKZTM-UHFFFAOYSA-N
M2M

wwPDB Information

Atom count

23 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-09-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned