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

Submission ID: 0R2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 100.09570000000001
  Fragment main chain atoms: [26, 22, 5, 1]
  Fragment all atoms: [26, 34, 35, 22, 64, 30, 5, 48, 49, 1, 36, 37, 38]
  

• C₇H₁₂N₁O₂
  Fragment probability: 0.53
  Fragment mass: 112.14930000000001
  Fragment main chain atoms: [26, 35, 27, 2]
  Fragment all atoms: [26, 22, 64, 5, 48, 49, 30, 34, 35, 27, 4, 3, 45, 46, 47, 42, 43, 44, 2, 39, 40, 41]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 27, 3]
  Fragment all atoms: [2, 39, 40, 41, 27, 4, 45, 46, 47, 35, 3, 42, 43, 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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