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- ChemComp-R4W: 1-methylsulfonylethane -

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Basic information

EntryDatabase: PDB chemical components / ID: R4W
NameName: 1-methylsulfonylethane
Synonyms: trans-3,4-dihydroxysulfolane; ethyl methyl sulfone

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Chemical information

Composition
Formula: C3H8O2S / Number of atoms: 14 / Formula weight: 108.159 / Formal charge: 0
Others

7a9e

Type: non-polymer / PDB classification: HETAIN / Three letter code: R4W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7A9E
History
Create componentSep 2, 2020
Initial releaseJun 16, 2021
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
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Details

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SMILES

CACTVS 3.385CC[S](C)(=O)=O
OpenEye OEToolkits 2.0.7CCS(=O)(=O)C

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SMILES CANONICAL

CACTVS 3.385CC[S](C)(=O)=O
OpenEye OEToolkits 2.0.7CCS(=O)(=O)C

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InChI

InChI 1.03InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3

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InChIKey

InChI 1.03YBJCDTIWNDBNTM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7a9e:
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone

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