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- ChemComp-7OL: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol -

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Basic information

EntryDatabase: PDB chemical components / ID: 7OL
NameName: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol

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Chemical information

Composition
Formula: C12H16O6 / Number of atoms: 34 / Formula weight: 256.252 / Formal charge: 0
Others

7vl3

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7OL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7VL3
History
Create componentOct 8, 2021
Initial releaseMar 9, 2022
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / 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

CACTVS 3.385OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

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InChI

InChI 1.03InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12+/m1/s1

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InChIKey

InChI 1.03NEZJDVYDSZTRFS-ZIQFBCGOSA-N

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PDB entries

Showing all 1 items

PDB-7vl3:
The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with phenyl alpha-D-glucoside

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