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- ChemComp-KBW: Re4(mu3-OH)4(CO)12 -

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Basic information

EntryDatabase: PDB chemical components / ID: KBW
NameName: Re4(mu3-oh)4(co)12

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Chemical information

Composition
Formula: C12O16Re4 / Number of atoms: 32 / Formula weight: 1144.947 / Formal charge: 0
Others

6ro3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KBW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RO3
History
Create componentMay 10, 2019
Other modificationMay 17, 2019
Initial releaseJun 19, 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 3.385[Re]O[Re]1O[Re]O[Re]O1.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O
OpenEye OEToolkits 2.0.7[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O

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SMILES CANONICAL

CACTVS 3.385[Re]O[Re]1O[Re]O[Re]O1.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O
OpenEye OEToolkits 2.0.7[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O

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InChI

InChI 1.03InChI=1S/12CHO.4O.4Re/c12*1-2;;;;;;;;/h12*1H;;;;;;;;

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InChIKey

InChI 1.03QHWAFOGPSYFELS-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6ro3:
2Yr-X: Lysozyme with Re Cluster 2 year on shelf

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