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- ChemComp-F8U: (2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: F8U
NameName: (2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid

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Chemical information

Composition
Formula: C4H10O8S2 / Number of atoms: 24 / Formula weight: 250.247 / Formal charge: 0
Others

7bvj

Type: non-polymer / PDB classification: HETAIN / Three letter code: F8U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BVJ
History
Create componentApr 15, 2020
Initial releaseDec 2, 2020
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 3.385O[CH](C[S](O)(=O)=O)[CH](O)C[S](O)(=O)=O
OpenEye OEToolkits 2.0.7C(C(C(CS(=O)(=O)O)O)O)S(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H](C[S](O)(=O)=O)[C@@H](O)C[S](O)(=O)=O
OpenEye OEToolkits 2.0.7C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C4H10O8S2/c5-3(1-13(7,8)9)4(6)2-14(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4-/m0/s1

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InChIKey

InChI 1.03HLYMICSVYBDBOV-IMJSIDKUSA-N

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PDB entries

Showing all 1 items

PDB-7bvj:
UDP-N-acetylglucosamine 3-dehydrogenase GnnA from Acidithiobacillus ferrooxidans (P21)

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