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- ChemComp-FSO: IRON/SULFUR/OXYGEN HYBRID CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: FSO
NameName: iron/sulfur/oxygen hybrid cluster

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Chemical information

Composition
Formula: Fe4O3S3 / Number of atoms: 10 / Formula weight: 367.573 / Formal charge: 0
Others

1e1d

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FSO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1E1D / Ambiguous flag: Yes
History
Create componentMay 4, 2000
Initial releaseJun 21, 2000
Other modificationOct 14, 2008
Other modificationNov 9, 2020
Modify chargeNov 9, 2020
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 3.385[S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23
OpenEye OEToolkits 2.0.7O1[Fe]O[Fe]2(O[Fe]3[S+]2[Fe]1S3)[S-]

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SMILES CANONICAL

CACTVS 3.385[S-][Fe@@]12O[Fe]O[Fe]3S[Fe](O1)[S@@+]23
OpenEye OEToolkits 2.0.7O1[Fe]O[Fe]2(O[Fe]3[S@@+]2[Fe]1S3)[S-]

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InChI

InChI 1.06InChI=1S/4Fe.3O.3S/q;;;;;;;;-1;+1

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InChIKey

InChI 1.06JQPFOUXUGPAEOB-UHFFFAOYSA-N

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PDB entries

Showing all 7 items

1e1d

1e2u

1e9v

1gn9

1gnl

1gnt

1upx

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