[English] 日本語
Yorodumi- ChemComp-7ED: 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7ED |
---|---|
Name | Name: Synonyms: octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate) |
-Chemical information
Composition | Formula: C42H50O8 / Number of atoms: 100 / Formula weight: 682.842 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7ED / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5TLT | ||||||
History |
| ||||||
External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | 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 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | |
---|
-PDB entries
Showing all 1 items
PDB-5tlt:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate)