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- ChemComp-FFE: [bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(o... -

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Basic information

EntryDatabase: PDB chemical components / ID: FFE
NameName: [bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron

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Chemical information

Composition
Formula: Fe3H11O13 / Number of atoms: 27 / Formula weight: 386.615 / Formal charge: 0
Others

5n5q

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FFE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5N5Q
History
Create componentMar 2, 2017
Initial releaseMar 7, 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[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O
OpenEye OEToolkits 2.0.6O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O

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SMILES CANONICAL

CACTVS 3.385O[Fe@](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O
OpenEye OEToolkits 2.0.6O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O

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InChI

InChI 1.03InChI=1S/3Fe.11H2O.2O/h;;;11*1H2;;/q+2;+4;+5;;;;;;;;;;;;;/p-11

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InChIKey

InChI 1.03WDCOXZGBZIBJBW-UHFFFAOYSA-C

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6[bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron

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PDB entries

Showing all 1 items

PDB-5n5q:
Human TTR altered conformation from soaking in iron chloride.

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