+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MBD | ||
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Name | Name: Wikipedia | Wikipedia - 3-Methylcatechol: 3-Methylcatechol is an organic compound with the formula CH3C6H3(OH)2 A white solid, it is one of the isomers of methylbenzenediol. Being structurally related to lignans, it is contributes to the aerosol generate by combustion of wood.... | |
-Chemical information
Composition | Formula: C7H8O2 / Number of atoms: 17 / Formula weight: 124.137 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MBD / Model coordinates PDB-ID: 1KNF | ||||||
History |
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External links | Brenda / UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / ChemSpider / 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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-PDB entries
Showing all 3 items
PDB-1knf:
Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with 3-methyl Catechol under Anaerobic Condition
PDB-2wl9:
Crystal structure of catechol 2,3-dioxygenase
PDB-3hjq:
Crystal structure of catechol 1,2-dioxygenase from Rhodococcus opacus 1CP in complex with 3-methylcatechol