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- ChemComp-J7Q: tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1... -

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Basic information

EntryDatabase: PDB chemical components / ID: J7Q
NameName: tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}- ...Name: tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum

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Chemical information

Composition
Formula: HMo7O26 / Number of atoms: 34 / Formula weight: 1088.572 / Formal charge: 0
Others

6h8b

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J7Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H8B
History
Create componentFeb 9, 2019
Initial releaseFeb 20, 2019
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.O.O.O.O[Mo]O[Mo]1O[Mo](O[Mo])O[Mo]O[Mo](O[Mo])O1
OpenEye OEToolkits 2.0.7O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([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.O.O.O.O[Mo]O[Mo]1O[Mo](O[Mo])O[Mo]O[Mo](O[Mo])O1
OpenEye OEToolkits 2.0.7O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O]

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InChI

InChI 1.03InChI=1S/7Mo.19H2O.7O/h;;;;;;;19*1H2;;;;;;;/q2*+1;3*+3;2*+4;;;;;;;;;;;;;;;;;;;;;;;;;;/p-19

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InChIKey

InChI 1.03JETHCXFIMFVFFB-UHFFFAOYSA-A

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PDB entries

Showing all 1 items

PDB-6h8b:
Molybdenum storage protein prepared under in vivo-like conditions and incubated with ATP and molybdate at 303 K

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