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- ChemComp-0YT: 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: 0YT
NameName: 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose
Synonyms: 2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose; 2-acetamido-2-deoxy-5-thio-beta-D-glucose;

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Chemical information

Composition
Formula: C8H15NO5S / Number of atoms: 30 / Formula weight: 237.273 / Formal charge: 0
Others

4gz3

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: 0YT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4GZ3
History
Create componentSep 18, 2012
Initial releaseOct 26, 2012
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 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

ACDLabs 12.01O=C(NC1C(O)C(O)C(SC1O)CO)C
CACTVS 3.370CC(=O)N[CH]1[CH](O)S[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6CC(=O)NC1C(C(C(SC1O)CO)O)O

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SMILES CANONICAL

CACTVS 3.370CC(=O)N[C@H]1[C@H](O)S[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6CC(=O)NC1C(C(C(SC1O)CO)O)O

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InChI

InChI 1.03InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1

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InChIKey

InChI 1.03DYCCLPFFILCZGU-FMDGEEDCSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose
OpenEye OEToolkits 1.7.6N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)thian-3-yl]ethanamide

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PDB entries

Showing all 1 items

PDB-4gz3:
Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide

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