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VV2 : Summary
Code 
|
VV2
|
One-letter code
|
X
|
Molecule name
|
Fe-S cluster
|
Systematic names
|
Not Assigned
|
Formula
|
Fe4 S3
|
Formal charge
|
0
|
Molecular weight
|
319.575 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
CACTVS |
3.385 |
S1[Fe][S]2([Fe]1)[Fe]S[Fe]2 |
|
SMILES
|
OpenEye OEToolkits |
2.0.7 |
[S]12[Fe]S34[Fe]1[S]([Fe]23)[Fe]4 |
|
Canonical SMILES
|
CACTVS |
3.385 |
S1[Fe][S]2([Fe]1)[Fe]S[Fe]2 |
|
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
[S]12[Fe]S34[Fe]1[S]([Fe]23)[Fe]4 |
|
IUPAC InChI | InChI=1S/4Fe.3S |
IUPAC InChI key | QQACTBFBZNWJMV-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
7 (7 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
non-polymer
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2023-04-05
|
Last modified at
|
2023-12-01
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
Protein Data Bank 
