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- ChemComp-GLT: 5-thio-alpha-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: GLT
NameName: 5-thio-alpha-D-glucopyranose
Synonyms: 5-DEOXY-5-THIO-ALPHA-D-GLUCOSE; 5-thio-alpha-D-glucose; 5-thio-D-glucose; 5-thio-glucose

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Chemical information

Composition
Formula: C6H12O5S / Number of atoms: 24 / Formula weight: 196.221 / Formal charge: 0
Others

1xli

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: GLT / Model coordinates PDB-ID: 1XLI
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / 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 10.04OC1C(O)C(SC(O)C1O)CO
CACTVS 3.341OC[CH]1S[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(S1)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H]1S[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1

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InChIKey

InChI 1.03KNWYARBAEIMVMZ-DVKNGEFBSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-thio-alpha-D-glucopyranose
OpenEye OEToolkits 1.5.0(2S,3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol

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PDB entries

Showing all 1 items

PDB-1xli:
MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT

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