Chemical Components in the PDB

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CLF : Summary

Code

CLF

One-letter code

X

Molecule name

FE(8)-S(7) CLUSTER

Systematic names

Not Assigned

Formula

Fe8 S7

Formal charge

0

Molecular weight

671.215 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.341 S1|2[Fe]|3S4|[Fe]1[S]567([Fe]|8S|9[Fe]|%10S|8[Fe]5S|%10[Fe]6|9)[Fe]|2S|3[Fe]47
SMILES OpenEye OEToolkits 1.5.0 [S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
Canonical SMILES CACTVS 3.341 S1|2[Fe]|3S4|[Fe]1[S]567([Fe]|8S|9[Fe]|%10S|8[Fe]5S|%10[Fe]6|9)[Fe]|2S|3[Fe]47
Canonical SMILES OpenEye OEToolkits 1.5.0 [S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71

IUPAC InChI

InChI=1/8Fe.7S/rFe8S7/c1-9-3-10(1)5-11(1)4(9)15(3,5)6-12-2-13(6)8(15)14(2)7(12)15

IUPAC InChI key

JKVMXLBGZBULKV-DHHOTQGYAO
CLF

wwPDB Information

Atom count

15 (15 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

2009-04-29

Status

Released

Obsoleted

Not Assigned