+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MPD | ||
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Name | Name: (Comment | precipitant*YM | |
-Chemical information
Composition | Formula: C6H14O2 / Number of atoms: 22 / Formula weight: 118.174 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MPD / Ideal coordinates details: Corina | ||||
History |
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External links | UniChem / ChemSpider / ChEBI / ChemicalBook / DrugBank / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / 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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-SYSTEMATIC NAME
ACDLabs 11.02 | (OpenEye OEToolkits 1.6.1 | ( | |
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