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Yorodumi- ChemComp-AOO: N-ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AOO |
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Name | Name: Synonyms: Atraton |
-Chemical information
Composition | Formula: C9H17N5O / Number of atoms: 32 / Formula weight: 211.264 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AOO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LSC | ||||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
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-PDB entries
Showing all 1 items
PDB-3lsc:
Crystal structure of the mutant E241Q of atrazine chlorohydrolase TrzN from Arthrobacter aurescens TC1 complexed with zinc and atraton