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- ChemComp-9YU: 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]eth... -

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Basic information

EntryDatabase: PDB chemical components / ID: 9YU
NameName: 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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Chemical information

Composition
Formula: C15H32O8 / Number of atoms: 55 / Formula weight: 340.41 / Formal charge: 0
Others

7qb4

Type: non-polymer / PDB classification: HETAIN / Three letter code: 9YU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QB4
History
Create componentNov 22, 2021
Initial releaseApr 6, 2022
Modify descriptorAug 22, 2022
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 3.385COCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 2.0.7COCCOCCOCCOCCOCCOCCOCCO

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SMILES CANONICAL

CACTVS 3.385COCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 2.0.7COCCOCCOCCOCCOCCOCCOCCO

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InChI

InChI 1.06InChI=1S/C15H32O8/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16/h16H,2-15H2,1H3

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InChIKey

InChI 1.06AGWKUHGLWHMYTG-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-7qb4:
Mus Musculus Acetylcholinesterase in complex with 7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one

PDB-7r02:
Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide

PDB-9i7z:
LecA in complex with 2-fluoro non-carbohydrate glycomimetic

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