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- ChemComp-IWO: W8-O26 cluster -

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Basic information

EntryDatabase: PDB chemical components / ID: IWO
NameName: W8-O26 cluster

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Chemical information

Composition
Formula: O26W8 / Number of atoms: 34 / Formula weight: 1886.704 / Formal charge: 0
Others

7z5j

Type: non-polymer / PDB classification: HETAIN / Three letter code: IWO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Z5J
History
Create componentApr 14, 2022
Initial releaseJul 13, 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 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]45O[W][O]24[W]6(O[W]7O[W]18O[W][O]678)(O3)O5
OpenEye OEToolkits 2.0.7[O][W]12(O[W]34(O15[W]67(O3[W](O4)(O6[W]89(O713[W]54(O8)(O2[W]1(O[W]3(O9)(O4)([O])[O])([O])[O])[O])([O])[O])([O])([O])[O])[O])([O])[O])[O]

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SMILES CANONICAL

CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]45O[W][O]24[W]6(O[W]7O[W]18O[W][O]678)(O3)O5
OpenEye OEToolkits 2.0.7[O][W]12(O[W]34(O15[W]67(O3[W](O4)(O6[W]89(O713[W]54(O8)(O2[W]1(O[W]3(O9)(O4)([O])[O])([O])[O])[O])([O])[O])([O])([O])[O])[O])([O])[O])[O]

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InChI

InChI 1.06InChI=1S/15H2O.11O.8W/h15*1H2;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;5*+2;+3/p-15

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InChIKey

InChI 1.06WWOBTXKAMYMDNS-UHFFFAOYSA-A

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PDB entries

Showing all 1 items

PDB-7z5j:
The molybdenum storage protein loaded with tungstate

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