+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 840 |
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Name | Name: Synonyms: 2,4-dihydroxy-3-({3-[(1aR,2R,3R,3aS,7S,7aS,7bR)-3-hydroxy-2,7-dimethyl-6-oxo-2,3,7,7a-tetrahydro-6H-2,7b-epoxy-1a,3a-me |
-Chemical information
Composition | Formula: C24H25NO8 / Number of atoms: 58 / Formula weight: 455.457 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 840 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3I8P | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / ZINC / 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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-PDB entries
Showing all 1 items
PDB-3i8p:
Crystal structure of E. coli FabF(C163A) in complex with Platensimycin A1