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Yorodumi- ChemComp-X1E: (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]H... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X1E | ||
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Name | Name: ( Synonyms: 6-AMINOPENICILLANIC ACID Comment | antibiotic*YM | |
-Chemical information
Composition | Formula: C8H12N2O3S / Number of atoms: 26 / Formula weight: 216.257 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: X1E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2X1E | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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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 1.6.1 | ( | |
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-PDB entries
Showing all 1 items
PDB-2x1e:
The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid