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- ChemComp-IV9: 1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{... -

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Basic information

EntryDatabase: PDB chemical components / ID: IV9
NameName: 1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa- ...Name: 1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane

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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: IV9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Z5J
History
Create componentApr 13, 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.O1[W]23O[W]45O[W]16O[W]78O[W]9%10O[W]%11%12O[W](O2)(O4)(O%11)[O]56[W](O3)(O7)(O9)[O]8%10%12
OpenEye OEToolkits 2.0.7[O][W]123(O[W]45(O16[W]7(O2)(O[W]891(O7[W]626(O3)O4[W]34(O282[W](O3)(O9)(O[W]2(O4)(O1)(O6)[O])([O])[O])(O5)[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.O1[W]23O[W]45O[W]16O[W]78O[W]9%10O[W]%11%12O[W](O2)(O4)(O%11)[O]56[W](O3)(O7)(O9)[O]8%10%12
OpenEye OEToolkits 2.0.7[O][W]123(O[W]45(O16[W]7(O2)(O[W]891(O7[W]626(O3)O4[W]34(O282[W](O3)(O9)(O[W]2(O4)(O1)(O6)[O])([O])[O])(O5)[O])[O])([O])[O])([O])[O])[O]

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InChI

InChI 1.06InChI=1S/11H2O.15O.8W/h11*1H2;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;4*+2/p-11

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InChIKey

InChI 1.06NWIRRVJZFFMRNI-UHFFFAOYSA-C

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PDB entries

Showing all 1 items

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

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