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- ChemComp-OCW: Tetracenomycin X -

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Basic information

EntryDatabase: PDB chemical components / ID: OCW
NameName: Tetracenomycin X
Synonyms: methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate

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Chemical information

Composition
Formula: C24H22O11 / Number of atoms: 57 / Formula weight: 486.425 / Formal charge: 0
Others

6y69

Type: non-polymer / PDB classification: HETAIN / Three letter code: OCW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Y69
History
Create componentFeb 27, 2020
Initial releaseJul 1, 2020
Modify synonymsOct 31, 2023
External linksUniChem / ChemSpider / 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 3.385COC(=O)c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[CH](O)[C]4(O)C(=O)c3cc2cc1OC
OpenEye OEToolkits 2.0.7Cc1c2c(cc3c(c2O)C(=O)C4(C(=O)C=C(C(C4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC

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SMILES CANONICAL

CACTVS 3.385COC(=O)c1c(C)c2c(O)c3C(=O)[C@]4(OC)C(=O)C=C(OC)[C@@H](O)[C@]4(O)C(=O)c3cc2cc1OC
OpenEye OEToolkits 2.0.7Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC

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InChI

InChI 1.06InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1

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InChIKey

InChI 1.06QSPIPUXWSNFXCK-AGILITTLSA-N

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PDB entries

Showing all 3 items

PDB-6y69:
Cryo-EM structure of an Escherichia coli 70S ribosome in complex with antibiotic TetracenomycinX

PDB-6y6x:
Tetracenomycin X bound to the human ribosome

PDB-7zta:
Structure of an Escherichia coli 70S ribosome stalled by Tetracenomycin X during translation of an MAAAPQK(C) peptide

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