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- ChemComp-DSS: METHYL METHYLSULFINYLMETHYL SULFIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: DSS
NameName: methyl methylsulfinylmethyl sulfide

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Chemical information

Composition
Formula: C3H8OS2 / Number of atoms: 14 / Formula weight: 124.225 / Formal charge: 0
Others

1d7i

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DSS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1D7I
History
Create componentOct 19, 1999
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
External linksUniChem / ChemSpider / Brenda / DrugBank / PubChem / ZINC / 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 10.04methyl (methylsulfanyl)methyl (S)-sulfoxide
CACTVS 3.385CSC[S](C)=O
OpenEye OEToolkits 1.7.5CSCS(=O)C

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SMILES CANONICAL

CACTVS 3.385CSC[S@](C)=O
OpenEye OEToolkits 1.7.5CSC[S@@](=O)C

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InChI

InChI 1.03InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3/t6-/m0/s1

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InChIKey

InChI 1.03OTKFCIVOVKCFHR-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 10.04(methylsulfanyl)[(S)-methylsulfinyl]methane
OpenEye OEToolkits 1.5.0[(S)-methylsulfinyl]methylsulfanylmethane

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PDB entries

Showing all 1 items

PDB-1d7i:
FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS)

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