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- ChemComp-AS8: ACETYLSULFATE -

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Basic information

EntryDatabase: PDB chemical components / ID: AS8
NameName: acetylsulfate / Synonyms: SULFO ETHANOATE

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Chemical information

Composition
Formula: C2H4O5S / Number of atoms: 12 / Formula weight: 140.115 / Formal charge: 0
Others

2xyb

Type: non-polymer / PDB classification: HETAIN / Three letter code: AS8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XYB
History
Create componentNov 17, 2010
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
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

CACTVS 3.352CC(=O)O[S](O)(=O)=O
OpenEye OEToolkits 1.6.1CC(=O)OS(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.352CC(=O)O[S](O)(=O)=O
OpenEye OEToolkits 1.6.1CC(=O)OS(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C2H4O5S/c1-2(3)7-8(4,5)6/h1H3,(H,4,5,6)

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InChIKey

InChI 1.03HZWXJJCSDBQVLF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-2xyb:
CRYSTAL STRUCTURE OF A FULLY FUNCTIONAL LACCASE FROM THE LIGNINOLYTIC FUNGUS PYCNOPORUS CINNABARINUS

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