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

Submission ID: BY6
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [48, 44, 42, 34, 98, 59, 164, 88, 198, 162, 86, 196]
  Fragment all atoms: [48, 168, 100, 44, 42, 34, 157, 20, 145, 146, 81, 192, 98, 59, 170, 99, 164, 88, 198, 162, 86, 196]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [45, 47, 43, 35, 97, 58, 89, 165, 199, 87, 163, 197]
  Fragment all atoms: [45, 47, 167, 101, 43, 35, 158, 21, 147, 148, 82, 193, 97, 58, 169, 100, 89, 165, 199, 87, 163, 197]
  

• C₉H₉N₂O₄
  Fragment probability: 0.43
  Fragment mass: 196.1829
  Fragment main chain atoms: [3, 27, 74, 56, 40, 79, 55]
  Fragment all atoms: [3, 110, 111, 112, 27, 153, 41, 161, 26, 152, 85, 195, 74, 56, 95, 40, 160, 46, 166, 31, 99, 79, 55, 94]
  

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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