Chemical Components in the PDB

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NQ : Summary

Code

NQ

One-letter code

X

Molecule name

2-HYDROXYNAPHTHOQUINONE

Synonyms

2-HYDROXY-1,4-NAPHTHOQUINONE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-hydroxynaphthalene-1,4-dione
OpenEye OEToolkits 1.5.0 2-hydroxynaphthalene-1,4-dione

Formula

C10 H6 O3

Formal charge

0

Molecular weight

174.153 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c1c(cccc1)C(=O)C(O)=C2
SMILES CACTVS 3.341 OC1=CC(=O)c2ccccc2C1=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)C=C(C2=O)O
Canonical SMILES CACTVS 3.341 OC1=CC(=O)c2ccccc2C1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)C=C(C2=O)O

IUPAC InChI

InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H

IUPAC InChI key

CSFWPUWCSPOLJW-UHFFFAOYSA-N
NQ

wwPDB Information

Atom count

19 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-03

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned