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- ChemComp-SEK: SELENOCYANATE ION -

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Basic information

EntryDatabase: PDB chemical components / ID: SEK
NameName: selenocyanate ion

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Chemical information

Composition
Formula: CNSe / Number of atoms: 3 / Formula weight: 104.977 / Formal charge: -1
Others

2h2s

Type: NON-POLYMER / PDB classification: HETAI / Three letter code: SEK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2H2S
History
Create componentMay 24, 2006
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 10.04[Se-]C#N
CACTVS 3.341[Se-]C#N
OpenEye OEToolkits 1.5.0C(#N)[Se-]

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SMILES CANONICAL

CACTVS 3.341[Se-]C#N
OpenEye OEToolkits 1.5.0C(#N)[Se-]

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InChI

InChI 1.03InChI=1S/CHNSe/c2-1-3/h3H/p-1

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InChIKey

InChI 1.03CRDYSYOERSZTHZ-UHFFFAOYSA-M

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SYSTEMATIC NAME

ACDLabs 10.04selenocyanate
OpenEye OEToolkits 1.5.0selenocyanate

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PDB entries

Showing all 4 items

PDB-2h2p:
Crystal structure of CLC-ec1 in complex with Fab fragment in SeCN-

PDB-2h2s:
Crystal Structure of E148A mutant of CLC-ec1 in SeCN-

PDB-8you:
The pmTcDH complex structure with an inhibitor SeCN

PDB-9qe3:
Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and selenocyanate at pH 5.5

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