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

Submission ID: XYT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.85

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [10, 7, 8, 11, 24, 3, 16, 36, 45, 37, 17, 46, 40, 19, 48]
  Fragment all atoms: [10, 39, 26, 7, 8, 11, 24, 3, 32, 1, 28, 29, 13, 42, 16, 36, 45, 37, 17, 46, 40, 19, 48]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [9, 6, 5, 4, 25, 12, 18, 38, 47, 35, 15, 44, 14, 34, 43]
  Fragment all atoms: [9, 6, 5, 4, 33, 2, 30, 31, 23, 25, 12, 41, 26, 18, 38, 47, 35, 15, 44, 14, 34, 43]
  

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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