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- ChemComp-4SM: TETRATHIOMOLYBDATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 4SM
NameName: tetrathiomolybdate

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Chemical information

Composition
Formula: MoS4 / Number of atoms: 5 / Formula weight: 224.2 / Formal charge: -2
Others

3k7r

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4SM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3K7R
History
Create componentOct 20, 2009
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / DrugBank / PubChem_TPharma / 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 11.02[S-][Mo]([S-])(=S)=S
CACTVS 3.352[S-][Mo]([S-])(=S)=S
OpenEye OEToolkits 1.7.0[S-][Mo](=S)(=S)[S-]

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SMILES CANONICAL

CACTVS 3.352[S-][Mo]([S-])(=S)=S
OpenEye OEToolkits 1.7.0[S-][Mo](=S)(=S)[S-]

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InChI

InChI 1.03InChI=1S/Mo.4S/q;;;2*-1

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InChIKey

InChI 1.03CXVCSRUYMINUSF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 11.02disulfido(dithioxo)molybdenum
OpenEye OEToolkits 1.6.1bis(sulfanidyl)-bis(sulfanylidene)molybdenum

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PDB entries

Showing all 1 items

PDB-3k7r:
Crystal structure of [TM][CuAtx1]3

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