+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 37T | ||
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Name | Name: Synonyms: 3,7-DIMETHYLXANTHINE; 3,7-DIMETHYLPURINE-2,6-DIONE Comment | alkaloid*YM | |
-Chemical information
Composition | Formula: C7H8N4O2 / Number of atoms: 21 / Formula weight: 180.164 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 37T / Ideal coordinates details: OpenEye OEToolkits | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / KEGG_Ligand / Metabolights / 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 3.341 | 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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