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

Submission ID: TIT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.52
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₉H₁₅N₂O₃
  Fragment probability: 0.52
  Fragment mass: 187.2157
  Fragment main chain atoms: [17, 25, 38, 32, 28, 19, 3]
  Fragment all atoms: [17, 76, 77, 46, 25, 82, 26, 83, 15, 72, 73, 40, 91, 38, 32, 45, 28, 84, 39, 19, 79, 4, 56, 57, 58, 3, 53, 54, 55]
  

• C₈H₁₁N₃O₄
  Fragment probability: 0.50
  Fragment mass: 201.19930000000002
  Fragment main chain atoms: [17, 25, 26, 15, 27, 36, 20, 5]
  Fragment all atoms: [17, 76, 77, 46, 25, 82, 38, 26, 83, 40, 91, 15, 72, 73, 27, 41, 36, 20, 80, 30, 43, 37, 5, 59, 60, 61]
  

• C₁₀H₁₅N₂O₄
  Fragment probability: 0.52
  Fragment mass: 195.17499999999998
  Fragment main chain atoms: [17, 25, 38, 32, 28, 39, 31]
  Fragment all atoms: [17, 76, 77, 46, 25, 82, 26, 83, 15, 72, 73, 40, 91, 38, 32, 45, 28, 84, 19, 79, 3, 4, 53, 54, 55, 56, 57, 58, 39, 31, 44]
  

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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