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- ChemComp-CHX: CYCLOHEXANE -

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Basic information

EntryDatabase: PDB chemical components / ID: CHX
NameName: cyclohexane

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Chemical information

Composition
Formula: C6H12 / Number of atoms: 18 / Formula weight: 84.159 / Formal charge: 0
Others

1hbt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CHX / Model coordinates PDB-ID: 1HBT
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 10.04C1CCCCC1
CACTVS 3.341C1CCCCC1
OpenEye OEToolkits 1.5.0C1CCCCC1

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SMILES CANONICAL

CACTVS 3.341C1CCCCC1
OpenEye OEToolkits 1.5.0C1CCCCC1

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InChI

InChI 1.03InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

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InChIKey

InChI 1.03XDTMQSROBMDMFD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04cyclohexane
OpenEye OEToolkits 1.5.0cyclohexane

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PDB entries

Showing all 3 items

PDB-1tio:
HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE

PDB-3f5b:
The crystal structure of aminoglycoside N(6')acetyltransferase from Legionella pneumophila subsp. pneumophila str. Philadelphia 1.

PDB-8fxq:
The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design.

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