Chemical Components in the PDB

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FES : Summary

Code

FES

One-letter code

X

Molecule name

FE2/S2 (INORGANIC) CLUSTER

Systematic names

ProgramVersionName
ACDLabs 10.04 di-mu-sulfidediiron
OpenEye OEToolkits 1.5.0 1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane

Formula

Fe2 S2

Formal charge

0

Molecular weight

175.82 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [Fe]1S[Fe]S1
SMILES CACTVS 3.341 S1[Fe]S[Fe]1
SMILES OpenEye OEToolkits 1.5.0 S1[Fe]S[Fe]1
Canonical SMILES CACTVS 3.341 S1[Fe]S[Fe]1
Canonical SMILES OpenEye OEToolkits 1.5.0 S1[Fe]S[Fe]1

IUPAC InChI

InChI=1S/2Fe.2S

IUPAC InChI key

NIXDOXVAJZFRNF-UHFFFAOYSA-N
FES

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