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Yorodumi- ChemComp-VAK: methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VAK |
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Name | Name: Synonyms: Aklavinone |
-Chemical information
Composition | Formula: C22H20O8 / Number of atoms: 50 / Formula weight: 412.389 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VAK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IHG | ||||||||
History |
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External links | Brenda / ChEBI / Metabolights / UniChem / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / Rhea / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | 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 11.02 | OpenEye OEToolkits 1.6.1 | |
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-PDB entries
Showing all 4 items
PDB-3ihg:
Crystal structure of a ternary complex of aklavinone-11 hydroxylase with FAD and aklavinone
PDB-7pga:
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
PDB-7phe:
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
PDB-7phf:
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK