Chemical Components in the PDB

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FS1 : Summary

Code

FS1

One-letter code

X

Molecule name

IRON/SULFUR CLUSTER

Systematic names

ProgramVersionName
ACDLabs 10.04 thioxoiron
OpenEye OEToolkits 1.5.0 sulfanylideneiron

Formula

Fe S

Formal charge

0

Molecular weight

87.91 Da

SMILES

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

IUPAC InChI

InChI=1S/Fe.S

IUPAC InChI key

MBMLMWLHJBBADN-UHFFFAOYSA-N
FS1

wwPDB Information

Atom count

2 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-12-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned