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Yorodumi- ChemComp-9XS: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9XS |
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Name | Name: ( |
-Chemical information
Composition | Formula: C22H27N3O8S / Number of atoms: 61 / Formula weight: 493.53 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 9XS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O0O | ||||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-7o0o:
Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem