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Yorodumi- ChemComp-J12: N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J12 |
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Name | Name: |
-Chemical information
Composition | Formula: C29H43N5O8S / Number of atoms: 86 / Formula weight: 621.745 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J12 / Model coordinates PDB-ID: 1PZK | ||||
History |
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External links | UniChem / ChemSpider / DrugBank / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-1pzk:
Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h