+Open data
-Basic information
Entry | Database: PDB chemical components / ID: HYO | ||||
---|---|---|---|---|---|
Name | Name: [(Wikipedia | Wikipedia - Hyoscyamine: |
Hyoscyamine (also known as daturine or duboisine) is a naturally occurring tropane alkaloid and plant toxin. It is a secondary metabolite found in certain plants of the family Solanaceae, including henbane, mandrake, angel's trumpets, jimsonweed, the sorcerers' tree, and Atropa belladonna (deadly nightshade)... Comment | alkaloid, toxin*YM | |
-Chemical information
Composition | Formula: C17H23NO3 / Number of atoms: 44 / Formula weight: 289.369 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: HYO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6TTM | ||||
History |
| ||||
External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-PDB entries
Showing all 6 items
PDB-6ttm:
Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine
PDB-6ttn:
N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine
PDB-8cv8:
Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and hyoscyamine
PDB-8cv9:
Structure of Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and hyoscyamine
PDB-8cve:
Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and hyoscyamine
PDB-8cvf:
Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and hyoscyamine