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- ChemComp-PS9: octathiocane -

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Basic information

EntryDatabase: PDB chemical components / ID: PS9
NameName: octathiocane

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Chemical information

Composition
Formula: S8 / Number of atoms: 8 / Formula weight: 256.52 / Formal charge: 0
Others

3h27
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PS9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3H27
History
Create componentApr 17, 2009
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 10.04S1SSSSSSS1
CACTVS 3.341S1SSSSSSS1
OpenEye OEToolkits 1.5.0S1SSSSSSS1

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SMILES CANONICAL

CACTVS 3.341S1SSSSSSS1
OpenEye OEToolkits 1.5.0S1SSSSSSS1

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InChI

InChI 1.03InChI=1S/S8/c1-2-4-6-8-7-5-3-1

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InChIKey

InChI 1.03JLQNHALFVCURHW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04octathiocane
OpenEye OEToolkits 1.5.01,2,3,4,5,6,7,8-octathiocane

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PDB entries

Showing all 4 items

PDB-3hyv:
3-D X-Ray structure of the sulfide:quinone oxidoreductase from the hyperthermophilic bacterium Aquifex aeolicus

PDB-3hyw:
3-D X-Ray structure of the sulfide:quinone oxidoreductase of the hyperthermophilic bacterium Aquifex aeolicus in complex with decylubiquinone

PDB-3hyx:
3-D X-Ray structure of the sulfide:quinone oxidoreductase from Aquifex aeolicus in complex with Aurachin C

PDB-5jr5:
RHCC in Complex with Elemental Sulfur

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