Chemical Components in the PDB

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3DM : Summary

Code

3DM

One-letter code

X

Molecule name

2,6-dimethoxyphenol

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-dimethoxyphenol
OpenEye OEToolkits 1.5.0 2,6-dimethoxyphenol

Formula

C8 H10 O3

Formal charge

0

Molecular weight

154.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(c1cccc(OC)c1O)C
SMILES CACTVS 3.341 COc1cccc(OC)c1O
SMILES OpenEye OEToolkits 1.5.0 COc1cccc(c1O)OC
Canonical SMILES CACTVS 3.341 COc1cccc(OC)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1cccc(c1O)OC

IUPAC InChI

InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3

IUPAC InChI key

KLIDCXVFHGNTTM-UHFFFAOYSA-N
3DM

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-01-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned