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Summary Geometry Related PDB entries

Obsolete: FS4

FS4 was replaced with SF4 on

Summary

Name:	IRON/SULFUR CLUSTER
Formula:	Fe4 S4
Formal charge:	0
Formula weight:	351.64 Da
Component type:	NON-POLYMER
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.02b	InChI=1/4Fe.4S/rFe4S4/c5-1-2(5)3(1,5)4(1,2,6(1)2,7(1)3)8(2)3
InChIKey	InChI	1.02b	LJBDFODJNLIPKO-OPQUVCQLAW
SMILES_CANONICAL	CACTVS	3.341	[Fe]1\|2\|3\|4\|5\|[Fe]\|6\|78\|9\|S1[Fe]\|%10%11\|2\|6S\|3[Fe]\|4\|7\|%10(S\|58)S\|9%11
SMILES	CACTVS	3.341	[Fe]1\|2\|3\|4\|5\|[Fe]\|6\|78\|9\|S1[Fe]\|%10%11\|2\|6S\|3[Fe]\|4\|7\|%10(S\|58)S\|9%11
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92
SMILES	OpenEye OEToolkits	1.5.0	[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92

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