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PLQ : Summary

Code

PLQ

One-letter code

X

Molecule name

1,4-benzoquinone

Systematic names

ProgramVersionName
ACDLabs 10.04 cyclohexa-2,5-diene-1,4-dione
OpenEye OEToolkits 1.5.0 cyclohexa-2,5-diene-1,4-dione

Formula

C6 H4 O2

Formal charge

0

Molecular weight

108.095 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H

IUPAC InChI key

AZQWKYJCGOJGHM-UHFFFAOYSA-N
PLQ

wwPDB Information

Atom count

12 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-11-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned