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Yorodumi- ChemComp-9YH: 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]a... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9YH |
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Name | Name: |
-Chemical information
Composition | Formula: C22H28N2O6S / Number of atoms: 59 / Formula weight: 448.533 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9YH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5ON0 | ||||
History |
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External links | UniChem / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 4 items
PDB-5on0:
Crystal structure of NikA in complex with Fe-L2 (N-(2-hydroxy-3methoxybenzyl)-N-N'-ethylenediaminediacetic acid)
PDB-5on5:
Crystal structure of NikA in complex with Fe-L2 (Fe-L2 (N-(2-hydroxy-3-methoxybenzyl)-N'-(2-thiomethylbenzyl)- N,N'-ethylenediamine diacetic acid) after dioxygen oxidation
PDB-5on8:
Crystal structure of NikA in complex with reduced Fe-L2 (N-(2-hydroxy-3-methoxybenzyl)-N'-(2-thiomethylbenzyl)- N,N'-ethylenediamine diacetic acid)
PDB-5on9:
Crystal structure of NikA in complex with reduced Fe-L1 (N-(2-hydroxybenzyl)-N'-(2-thiomethylbenzyl)-N,N'-ethylenediamine diacetic acid)