|
Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.
FUQ : Summary
Code
|
FUQ
|
One-letter code
|
X
|
Molecule name
|
Mo5 Cluster
|
Systematic names
|
|
Formula
|
H20 Mo5 O25
|
Formal charge
|
0
|
Molecular weight
|
899.844 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O1 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O |
Canonical SMILES
|
CACTVS |
3.385 |
O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O |
|
IUPAC InChI | InChI=1S/5Mo.20H2O.5O/h;;;;;20*1H2;;;;;/q5*+4;;;;;;;;;;;;;;;;;;;;;;;;;/p-20 |
IUPAC InChI key | KKTGFJKWMBVMER-UHFFFAOYSA-A |
|
wwPDB Information |
Atom count
|
50 (30 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2018-07-30
|
Last modified at
|
2018-11-09
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|