|
HOH : Summary
Code
|
HOH
|
One-letter code
|
X
|
Molecule name
|
WATER
|
Systematic names
|
|
Formula
|
H2 O
|
Formal charge
|
0
|
Molecular weight
|
18.015 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O |
SMILES
|
CACTVS |
3.341 |
O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
O |
Canonical SMILES
|
CACTVS |
3.341 |
O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
O |
|
IUPAC InChI | InChI=1S/H2O/h1H2 |
IUPAC InChI key | XLYOFNOQVPJJNP-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
3 (1 without Hydrogen)
|
Polymer type
|
Water
|
Type description
|
NON-POLYMER
|
Type code
|
HETAS
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
1999-07-08
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|