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- ChemComp-CLF: FE(8)-S(7) CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: CLF
NameName: fe(8)-S(7) cluster

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Chemical information

Composition
Formula: Fe8S7 / Number of atoms: 15 / Formula weight: 671.215 / Formal charge: 0
Others

1qgu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CLF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1QGU / Ambiguous flag: Yes
History
Create componentJul 8, 1999
Modify descriptorSep 23, 2023
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 3.385S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71

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SMILES CANONICAL

CACTVS 3.385S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71

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InChI

InChI 1.06InChI=1S/8Fe.7S

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InChIKey

InChI 1.06JKVMXLBGZBULKV-UHFFFAOYSA-N

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