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 3.385 S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
SMILES OpenEye OEToolkits 2.0.7 [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 3.385 S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
Canonical SMILES OpenEye OEToolkits 2.0.7 [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=1S/8Fe.7S

IUPAC InChI key

JKVMXLBGZBULKV-UHFFFAOYSA-N
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

2023-09-23

Status

Released

Obsoleted

Not Assigned