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- ChemComp-NPY: NAPHTHALENE -

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Basic information

EntryDatabase: PDB chemical components / ID: NPY
NameName: naphthalene

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Chemical information

Composition
Formula: C10H8 / Number of atoms: 18 / Formula weight: 128.171 / Formal charge: 0
Others

1fiv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NPY / Model coordinates PDB-ID: 1FIV
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04c12ccccc1cccc2
CACTVS 3.341c1ccc2ccccc2c1
OpenEye OEToolkits 1.5.0c1ccc2ccccc2c1

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SMILES CANONICAL

CACTVS 3.341c1ccc2ccccc2c1
OpenEye OEToolkits 1.5.0c1ccc2ccccc2c1

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InChI

InChI 1.03InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

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InChIKey

InChI 1.03UFWIBTONFRDIAS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04naphthalene
OpenEye OEToolkits 1.5.0naphthalene

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PDB entries

Showing all 4 items

PDB-1o7g:
NAPHTHALENE 1,2-DIOXYGENASE WITH NAPHTHALENE BOUND IN THE ACTIVE SITE.

PDB-5vkf:
RHCC in complex with Naphthalene

PDB-6ekw:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with naphthalene

PDB-7pn4:
Evolved unspecific peroxygenase with A77L mutation in complex with naphthalene

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