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- ChemComp-KVQ: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3... -

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Basic information

EntryDatabase: PDB chemical components / ID: KVQ
NameName: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol

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Chemical information

Composition
Formula: C15H17NO5S / Number of atoms: 39 / Formula weight: 323.364 / Formal charge: 0
Others

6s51

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KVQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6S51
History
Create componentJul 1, 2019
Initial releaseFeb 19, 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 3.385OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2csc(n2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nc(cs2)C3C(C(C(C(O3)CO)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2csc(n2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nc(cs2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

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InChI

InChI 1.03InChI=1S/C15H17NO5S/c17-6-10-11(18)12(19)13(20)14(21-10)9-7-22-15(16-9)8-4-2-1-3-5-8/h1-5,7,10-14,17-20H,6H2/t10-,11-,12+,13-,14+/m1/s1

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InChIKey

InChI 1.03PFYRBHFULSKLRW-RGDJUOJXSA-N

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PDB entries

Showing all 1 items

PDB-6s51:
The crystal structure of glycogen phosphorylase in complex with 10

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