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- ChemComp-FV2: Mo8 cluster -

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Basic information

EntryDatabase: PDB chemical components / ID: FV2
NameName: Mo8 cluster

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Chemical information

Composition
Formula: Mo8O30 / Number of atoms: 38 / Formula weight: 1247.502 / Formal charge: 0
Others

6gx4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FV2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6GX4
History
Other modificationJul 31, 2018
Initial releaseDec 5, 2018
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.O1[Mo]O[Mo]23O[Mo]O[Mo]45O[Mo](O[Mo](O[Mo]1O2)O3)O[Mo](O4)O5
OpenEye OEToolkits 2.0.6[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([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.O.O.O.O1[Mo]O[Mo]23O[Mo]O[Mo]45O[Mo](O[Mo](O[Mo]1O2)O3)O[Mo](O4)O5
OpenEye OEToolkits 2.0.6[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O]

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InChI

InChI 1.03InChI=1S/8Mo.18H2O.12O/h;;;;;;;;18*1H2;;;;;;;;;;;;/q2*+1;2*+2;4*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-18

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InChIKey

InChI 1.03OYDJOMQLWBZCKT-UHFFFAOYSA-A

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PDB entries

Showing all 1 items

PDB-6gx4:
The molybdenum storage protein: with ATP/Mn2+ and with POM clusters formed under in vitro conditions

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