Chemical Components in the PDB

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CFO : Summary

Code

CFO

One-letter code

X

Molecule name

CHLORO DIIRON-OXO MOIETY

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.5.0 chloro-ferriooxy-iron

Formula

Cl Fe2 O

Formal charge

0

Molecular weight

163.142 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.341 Cl[Fe]O[Fe]
SMILES OpenEye OEToolkits 1.5.0 O([Fe])[Fe]Cl
Canonical SMILES CACTVS 3.341 Cl[Fe]O[Fe]
Canonical SMILES OpenEye OEToolkits 1.5.0 O([Fe])[Fe]Cl

IUPAC InChI

InChI=1S/ClH.2Fe.O/h1H;;;/q;;+1;/p-1

IUPAC InChI key

KBTPJIQAZMMQJH-UHFFFAOYSA-M
CFO

wwPDB Information

Atom count

4 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned