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

Submission ID: BLB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [42, 38, 36, 28, 93, 53, 147, 83, 182, 145, 81, 180]
  Fragment all atoms: [42, 151, 95, 38, 36, 28, 140, 14, 128, 129, 76, 176, 93, 53, 153, 94, 147, 83, 182, 145, 81, 180]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [39, 41, 37, 29, 92, 52, 84, 148, 183, 82, 146, 181]
  Fragment all atoms: [39, 41, 150, 96, 37, 29, 141, 15, 130, 131, 77, 177, 92, 52, 152, 95, 84, 148, 183, 82, 146, 181]
  

• C₉H₉N₂O₄
  Fragment probability: 0.43
  Fragment mass: 196.1829
  Fragment main chain atoms: [3, 21, 69, 50, 34, 74, 49]
  Fragment all atoms: [3, 105, 106, 107, 21, 136, 35, 144, 20, 135, 80, 179, 69, 50, 90, 34, 143, 40, 149, 25, 94, 74, 49, 89]
  

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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