Chemical Components in the PDB

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FEL : Summary

Code

FEL

One-letter code

X

Molecule name

HYDRATED FE

Systematic names

Not Assigned

Formula

Fe H6 O3

Formal charge

3

Molecular weight

109.891 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.341 O|[Fe+3](|O)|O
SMILES OpenEye OEToolkits 1.5.0 [OH2][Fe+3]([OH2])[OH2]
Canonical SMILES CACTVS 3.341 O|[Fe+3](|O)|O
Canonical SMILES OpenEye OEToolkits 1.5.0 [OH2][Fe+3]([OH2])[OH2]

IUPAC InChI

InChI=1/Fe.3H2O/h;3*1H2/q+3;;;/rFeH6O3/c2-1(3)4/h2-4H2/q+3

IUPAC InChI key

MSNWSDPPULHLDL-BKVXGLREAH
FEL

wwPDB Information

Atom count

10 (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

2008-10-14

Status

Released

Obsoleted

Not Assigned