Chemical Components in the PDB

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UFF : Summary

Code

UFF

One-letter code

X

Molecule name

FE(7)-S(7) CLUSTER

Systematic names

Not Assigned

Formula

Fe7 S7

Formal charge

0

Molecular weight

615.37 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 S1[Fe]S[Fe](S[Fe]1)[S]23[Fe]S[Fe]S[Fe]2S[Fe]3
SMILES OpenEye OEToolkits 2.0.7 S1[Fe]2S[Fe]3[S]2[Fe]1[S]345[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58
Canonical SMILES CACTVS 3.385 S1[Fe]S[Fe](S[Fe]1)[S]23[Fe]S[Fe]S[Fe]2S[Fe]3
Canonical SMILES OpenEye OEToolkits 2.0.7 S1[Fe]2S[Fe]3[S]2[Fe]1[S]345[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58

IUPAC InChI

InChI=1S/7Fe.HS.6S/h;;;;;;;1H;;;;;;

IUPAC InChI key

PVYXUKKSKYTPFX-UHFFFAOYSA-N
UFF

wwPDB Information

Atom count

14 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-18

Last modified at

2022-12-09

Status

Released

Obsoleted

Not Assigned