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

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Basic information

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

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Chemical information

Composition
Formula: C13H16N4O5 / Number of atoms: 38 / Formula weight: 308.29 / Formal charge: 0
Others

6s52

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KVN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6S52
History
Create componentJul 1, 2019
Initial releaseFeb 19, 2020
External linksUniChem / ChemSpider / BindingDB / ChEMBL / 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

CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2nnc(n2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nnn(n2)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)n2nnc(n2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nnn(n2)[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/C13H16N4O5/c18-6-8-9(19)10(20)11(21)13(22-8)17-15-12(14-16-17)7-4-2-1-3-5-7/h1-5,8-11,13,18-21H,6H2/t8-,9-,10+,11-,13-/m1/s1

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InChIKey

InChI 1.03DNXJDWRGEZLNKO-BZNQNGANSA-N

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PDB entries

Showing all 1 items

PDB-6s52:
The crystal structure of glycogen phosphorylase in complex with 14

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