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

Submission ID: BLM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [43, 39, 37, 29, 90, 54, 149, 80, 179, 147, 78, 177]
  Fragment all atoms: [43, 153, 92, 39, 37, 29, 142, 15, 130, 131, 73, 173, 90, 54, 155, 91, 149, 80, 179, 147, 78, 177]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [40, 42, 38, 30, 89, 53, 81, 150, 180, 79, 148, 178]
  Fragment all atoms: [40, 42, 152, 93, 38, 30, 143, 16, 132, 133, 74, 174, 89, 53, 154, 92, 81, 150, 180, 79, 148, 178]
  

• C₉H₉N₂O₄
  Fragment probability: 0.43
  Fragment mass: 196.1829
  Fragment main chain atoms: [3, 22, 66, 51, 35, 71, 50]
  Fragment all atoms: [3, 103, 104, 105, 22, 138, 36, 146, 21, 137, 77, 176, 66, 51, 87, 35, 145, 41, 151, 26, 91, 71, 50, 86]
  

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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