 |
HGI : Summary
Code 
|
HGI
|
One-letter code
|
X
|
Molecule name
|
MERCURY (II) IODIDE
|
Systematic names
|
|
Formula
|
Hg I2
|
Formal charge
|
0
|
Molecular weight
|
454.399 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
I[Hg]I |
|
SMILES
|
CACTVS |
3.341 |
I[Hg]I |
|
SMILES
|
OpenEye OEToolkits |
1.5.0 |
I[Hg]I |
|
Canonical SMILES
|
CACTVS |
3.341 |
I[Hg]I |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
I[Hg]I |
|
IUPAC InChI | InChI=1S/Hg.2HI/h;2*1H/q+2;;/p-2 |
IUPAC InChI key | YFDLHELOZYVNJE-UHFFFAOYSA-L |
|
wwPDB Information |
Atom count
|
3 (3 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2001-06-20
|
Last modified at
|
2021-03-01
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
|
HGI : Atoms of Molecule
Total Number of Atoms: 3
| Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
| 1 |
HG |
HG |
HG |
N |
N |
N |
0 |
0.0 |
0.0 |
0.0 |
| 2 |
I1 |
I |
I1 |
N |
N |
N |
0 |
0.0 |
0.0 |
-2.65 |
| 3 |
I2 |
I |
I2 |
N |
N |
N |
0 |
0.0 |
0.0 |
2.65 |
HGI : Chemical Bonds
Total Number of Bonds: 2
| Record |
First Atom |
Second Atom |
First Element |
Second Element |
Bond Order Type |
Bond Length |
Bond Stereochemistry |
Is Aromatic |
| 1 |
HG |
I1 |
HG |
I |
sing |
2.65 |
N |
N |
| 2 |
HG |
I2 |
HG |
I |
sing |
2.65 |
N |
N |
HGI : Used in PDB Entries
Total Number of PDB Entries: 2
| Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
| HGI |
1j99  |
Bound ligand
|
3 |
1 |
| HGI |
6bri |
Bound ligand
|
1 |
1 |
|
Protein Data Bank 
