Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DQN : Summary

Code

DQN

One-letter code

X

Molecule name

DUROQUINONE

Systematic names

ProgramVersionName
ACDLabs 10.04 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
OpenEye OEToolkits 1.5.0 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione

Formula

C10 H12 O2

Formal charge

0

Molecular weight

164.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C(=C(C(=O)C(=C1C)C)C)C
SMILES CACTVS 3.341 CC1=C(C)C(=O)C(=C(C)C1=O)C
SMILES OpenEye OEToolkits 1.5.0 CC1=C(C(=O)C(=C(C1=O)C)C)C
Canonical SMILES CACTVS 3.341 CC1=C(C)C(=O)C(=C(C)C1=O)C
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=C(C(=O)C(=C(C1=O)C)C)C

IUPAC InChI

InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3

IUPAC InChI key

WAMKWBHYPYBEJY-UHFFFAOYSA-N
DQN

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned