 |
ART : Summary
Code 
|
ART
|
One-letter code
|
X
|
Molecule name
|
ARSENATE
|
Systematic names
|
|
Formula
|
As O4
|
Formal charge
|
-3
|
Molecular weight
|
138.919 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
[O-][As]([O-])([O-])=O |
|
SMILES
|
CACTVS |
3.341 |
[O-][As]([O-])([O-])=O |
|
SMILES
|
OpenEye OEToolkits |
1.5.0 |
[O-][As](=O)([O-])[O-] |
|
Canonical SMILES
|
CACTVS |
3.341 |
[O-][As]([O-])([O-])=O |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
[O-][As](=O)([O-])[O-] |
|
IUPAC InChI | InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3 |
IUPAC InChI key | DJHGAFSJWGLOIV-UHFFFAOYSA-K |
|
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
|
2004-06-04
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
|
ART : 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 |
AS |
AS |
AS |
N |
N |
N |
0 |
|
|
|
| 2 |
O1 |
O |
O1 |
N |
N |
N |
-1 |
|
|
|
| 3 |
O2 |
O |
O2 |
N |
N |
N |
-1 |
|
|
|
| 4 |
O3 |
O |
O3 |
N |
N |
N |
-1 |
|
|
|
| 5 |
O4 |
O |
O4 |
N |
N |
N |
0 |
|
|
|
ART : 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 |
AS |
O1 |
AS |
O |
sing |
|
N |
N |
| 2 |
AS |
O2 |
AS |
O |
sing |
|
N |
N |
| 3 |
AS |
O3 |
AS |
O |
sing |
|
N |
N |
| 4 |
AS |
O4 |
AS |
O |
doub |
|
N |
N |
ART : Used in PDB Entries
Total Number of PDB Entries: 8
|
Protein Data Bank 
