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Yorodumi- ChemComp-AKV: {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AKV |
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Name | Name: { Synonyms: DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME) |
-Chemical information
Composition | Formula: C22H22O8 / Number of atoms: 52 / Formula weight: 414.405 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AKV / Model coordinates PDB-ID: 2F99 | ||||||
History |
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External links | UniChem / DrugBank / PubChem / ZINC / ChemSpider / 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-2f99:
Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.