 |
REO : Summary
Code 
|
REO
|
One-letter code
|
X
|
Molecule name
|
PERRHENATE
|
Systematic names
|
|
Formula
|
O4 Re
|
Formal charge
|
-1
|
Molecular weight
|
250.205 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
[O-][Re](=O)(=O)=O |
|
SMILES
|
CACTVS |
3.341 |
[O-][Re](=O)(=O)=O |
|
SMILES
|
OpenEye OEToolkits |
1.5.0 |
[O-][Re](=O)(=O)=O |
|
Canonical SMILES
|
CACTVS |
3.341 |
[O-][Re](=O)(=O)=O |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
[O-][Re](=O)(=O)=O |
|
IUPAC InChI | InChI=1S/4O.Re/q;;;-1; |
IUPAC InChI key | WPWXHJFQOFOBAC-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
5 (5 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2000-12-13
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
|
REO : Atoms of Molecule
Total Number of Atoms: 5
| Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
| 1 |
RE |
RE |
RE |
N |
N |
N |
0 |
-0.026 |
-0.001 |
0.0 |
| 2 |
O12 |
O |
O12 |
N |
N |
N |
0 |
1.963 |
-0.212 |
0.0 |
| 3 |
O13 |
O |
O13 |
N |
N |
N |
0 |
-0.517 |
0.878 |
-1.424 |
| 4 |
O14 |
O |
O14 |
N |
N |
N |
0 |
-0.777 |
-1.574 |
0.0 |
| 5 |
O15 |
O |
O15 |
N |
N |
N |
-1 |
-0.517 |
0.878 |
1.424 |
REO : Chemical Bonds
Total Number of Bonds: 4
| Record |
First Atom |
Second Atom |
First Element |
Second Element |
Bond Order Type |
Bond Length |
Bond Stereochemistry |
Is Aromatic |
| 1 |
RE |
O12 |
RE |
O |
doub |
2.0 |
N |
N |
| 2 |
RE |
O13 |
RE |
O |
doub |
1.74 |
N |
N |
| 3 |
RE |
O14 |
RE |
O |
doub |
1.74 |
N |
N |
| 4 |
RE |
O15 |
RE |
O |
sing |
1.74 |
N |
N |
REO : Used in PDB Entries
Total Number of PDB Entries: 5
|
Protein Data Bank 
