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Yorodumi- ChemComp-604: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 604 |
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Name | Name: Synonyms: 5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m |
-Chemical information
Composition | Formula: C19H21BrN2O10S / Number of atoms: 54 / Formula weight: 549.346 / Formal charge: 0 | ||||||||||||||||||||
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Others | Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: 604 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HEX | ||||||||||||||||||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-5hex:
Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine