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Yorodumi- ChemComp-O05: [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-piperazin-4-ium-1-yl-pu... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: O05 |
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Name | Name: [[( |
-Chemical information
Composition | Formula: C15H26N7O9P2 / Number of atoms: 59 / Formula weight: 510.356 / Formal charge: 1 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: O05 / Model coordinates PDB-ID: 6TWF | ||||
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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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-6twf:
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state