[English] 日本語
Yorodumi- ChemComp-97U: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylide... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 97U | ||
---|---|---|---|
Name | Name: (Comment | toxin*YM | |
-Chemical information
Composition | Formula: C20H18ClNO6 / Number of atoms: 46 / Formula weight: 403.813 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 97U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7W9N | ||||
History |
| ||||
External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / GtoPharmacology / 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 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|