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Yorodumi- ChemComp-MJA: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MJA |
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Name | Name: ( Synonyms: Monacolin J acid |
-Chemical information
Composition | Formula: C19H30O5 / Number of atoms: 54 / Formula weight: 338.439 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MJA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3HLD | ||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / Metabolights / PubChem / PubChem_TPharma / SureChEMBL / 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 3 items
PDB-3hld:
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid
PDB-3hle:
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid
PDB-6kje:
lovastatin esterase PcEST in complex with monacolin J