+Open data
-Basic information
Entry | Database: PDB chemical components / ID: N36 | ||
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Name | Name: Wikipedia | Wikipedia - Ethylvanillin: Ethylvanillin is the organic compound with the formula (C2H5O)(HO)C6H3CHO. This colorless solid consists of a benzene ring with hydroxyl, ethoxy, and formyl groups on the 4, 3, and 1 positions, respectively... | |
-Chemical information
Composition | Formula: C9H10O3 / Number of atoms: 22 / Formula weight: 166.174 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: N36 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7UFJ | ||||
History |
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External links | UniChem / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-7ufj:
Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR