+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8X3 | ||
---|---|---|---|
Name | Name: Wikipedia | Wikipedia - Isethionic acid: Isethionic acid is an organosulfur compound containing an alkylsulfonic acid located beta to a hydroxy group. Its discovery is generally attributed to Heinrich Gustav Magnus, who prepared it by the action of solid sulfur trioxide on ethanol in 1833.
It is a white water-soluble solid used in the manufacture of certain surfactants and in the industrial production of taurine... | |
-Chemical information
Composition | Formula: C2H6O4S / Number of atoms: 13 / Formula weight: 126.132 / Formal charge: 0 | ||||||||
---|---|---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5YMR | ||||||||
History |
| ||||||||
External links | Brenda / UniChem / ChEBI / CompTox / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|