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- ChemComp-EZ3: (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(... -

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Basic information

EntryDatabase: PDB chemical components / ID: EZ3
NameName: (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one

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Chemical information

Composition
Formula: C16H20O6 / Number of atoms: 42 / Formula weight: 308.326 / Formal charge: 0
Others

6m0t

Type: non-polymer / PDB classification: HETAIN / Three letter code: EZ3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6M0T
History
Create componentFeb 26, 2020
Initial releaseApr 21, 2021
External linksUniChem / ChemSpider / PubChem / 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 3.385C[CH]1CCC[CH](O1)[CH](O)[CH]2Cc3cc(O)cc(O)c3C(=O)O2
OpenEye OEToolkits 2.0.7CC1CCCC(O1)C(C2Cc3cc(cc(c3C(=O)O2)O)O)O

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SMILES CANONICAL

CACTVS 3.385C[C@H]1CCC[C@@H](O1)[C@@H](O)[C@H]2Cc3cc(O)cc(O)c3C(=O)O2
OpenEye OEToolkits 2.0.7C[C@H]1CCC[C@@H](O1)[C@H]([C@H]2Cc3cc(cc(c3C(=O)O2)O)O)O

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InChI

InChI 1.03InChI=1S/C16H20O6/c1-8-3-2-4-12(21-8)15(19)13-6-9-5-10(17)7-11(18)14(9)16(20)22-13/h5,7-8,12-13,15,17-19H,2-4,6H2,1H3/t8-,12+,13+,15+/m0/s1

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InChIKey

InChI 1.03YVPGTQQTPNCAJJ-VFJFRJDUSA-N

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PDB entries

Showing all 1 items

PDB-6m0t:
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin derivative (CL-2)

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