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- ChemComp-M1M: 1,1-Methanediyl Bismethanethiosulfonate -

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Basic information

EntryDatabase: PDB chemical components / ID: M1M
NameName: 1,1-Methanediyl Bismethanethiosulfonate / Synonyms: S,S'-methylene dimethanesulfonothioate

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Chemical information

Composition
Formula: C3H8O4S4 / Number of atoms: 19 / Formula weight: 236.353 / Formal charge: 0
Others

5jv6
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: M1M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5JV6
History
Create componentMay 12, 2016
Modify synonymsJun 29, 2016
Initial releaseMay 27, 2020
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / Nikkaji / PubChem / SureChEMBL / 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 12.01S(S(=O)(=O)C)CSS(=O)(=O)C
CACTVS 3.385C[S](=O)(=O)SCS[S](C)(=O)=O
OpenEye OEToolkits 1.7.6CS(=O)(=O)SCSS(=O)(=O)C

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SMILES CANONICAL

CACTVS 3.385C[S](=O)(=O)SCS[S](C)(=O)=O
OpenEye OEToolkits 1.7.6CS(=O)(=O)SCSS(=O)(=O)C

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InChI

InChI 1.03InChI=1S/C3H8O4S4/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3

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InChIKey

InChI 1.03SFSDVHMSSISWGL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01S,S'-methylene dimethanesulfonothioate
OpenEye OEToolkits 1.7.6bis(methylsulfonylsulfanyl)methane

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PDB entries

Showing all 1 items

PDB-6o9v:
KirBac3.1 mutant at a resolution of 3.1 Angstroms

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