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- ChemComp-D8Z: Artemether -

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Basic information

EntryDatabase: PDB chemical components / ID: D8Z
NameName: Artemether
Commentmedication*YM

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Chemical information

Composition
Formula: C16H26O5 / Number of atoms: 47 / Formula weight: 298.375 / Formal charge: 0
Others

6fgd

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: D8Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6FGD
History
Create componentJan 10, 2018
Initial releaseJan 16, 2019
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CO[CH]1O[CH]2O[C]3(C)CC[CH]4[CH](C)CC[CH]([CH]1C)[C]24OO3
OpenEye OEToolkits 2.0.6CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C

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SMILES CANONICAL

CACTVS 3.385CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
OpenEye OEToolkits 2.0.6C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C

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InChI

InChI 1.03InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1

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InChIKey

InChI 1.03SXYIRMFQILZOAM-HVNFFKDJSA-N

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PDB entries

Showing all 1 items

PDB-6fgd:
Crystal structure of Gephyrin E domain in complex with Artemether

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