• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: 1QQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₀O₃
  Fragment probability: 0.67
  Fragment mass: 115.10700000000001
  Fragment main chain atoms: [6, 5, 4, 2]
  Fragment all atoms: [6, 8, 9, 19, 5, 7, 4, 18, 3, 16, 17, 1, 10, 11, 12, 2, 13, 14, 15]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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