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- ChemComp-HC0: 2 IRON/2 SULFUR/6 CARBONYL/1 WATER INORGANIC CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: HC0
NameName: 2 iron/2 sulfur/6 carbonyl/1 water inorganic cluster

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Chemical information

Composition
Formula: C6H7Fe2O7S2 / Number of atoms: 24 / Formula weight: 366.936 / Formal charge: 0
Others

1c4c

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HC0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1C4C / Ambiguous flag: Yes
History
Create componentAug 24, 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 3.385O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)(C=O)C2=O)C=O
OpenEye OEToolkits 2.0.7C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O

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SMILES CANONICAL

CACTVS 3.385O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)(C=O)C2=O)C=O
OpenEye OEToolkits 2.0.7C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O

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InChI

InChI 1.06InChI=1S/5CHO.CO.2Fe.H2O.2S/c6*1-2;;;;;/h5*1H;;;;1H2;;

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InChIKey

InChI 1.06RBPZXAJPLJEKDC-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-1c4c:
BINDING OF EXOGENOUSLY ADDED CARBON MONOXIDE AT THE ACTIVE SITE OF THE FE-ONLY HYDROGENASE (CPI) FROM CLOSTRIDIUM PASTEURIANUM

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