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- ChemComp-YZT: 6-deoxy-6-sulfo-beta-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: YZT
NameName: 6-deoxy-6-sulfo-beta-D-glucopyranose

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Chemical information

Composition
Formula: C6H12O8S / Number of atoms: 27 / Formula weight: 244.22 / Formal charge: 0
Others

1q90

Type: SACCHARIDE / PDB classification: ATOMS / Three letter code: YZT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1Q90
History
Create componentDec 18, 2012
Other modificationJan 11, 2013
Modify atom idMar 3, 2013
Initial releaseApr 13, 2022
External linksUniChem / ChemSpider / Brenda / ChEBI / Metabolights / Nikkaji / PubChem / 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 12.01O=S(=O)(O)CC1OC(O)C(O)C(O)C1O
CACTVS 3.370O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.370O[C@@H]1O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

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InChIKey

InChI 1.03QFBWOLBPVQLZEH-VFUOTHLCSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-deoxy-6-sulfo-beta-D-glucopyranose
OpenEye OEToolkits 1.7.6[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid

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PDB entries

Showing all 3 items

PDB-7yzs:
Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovose

PDB-7zcx:
S-layer protein SlaA from Sulfolobus acidocaldarius at pH 4.0

PDB-9gww:
Crystal structure of sulfoquinovose-1-dehydrogenase from Pseudomonas Putida in complex with sulfoquinovose substrate (sulfo-ED pathway)

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