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

Submission ID: HYB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₉H₁₄N₂O₂
  Fragment probability: 0.45
  Fragment mass: 172.22420000000002
  Fragment main chain atoms: [20, 27, 33, 31, 29, 22, 1]
  Fragment all atoms: [20, 72, 73, 35, 82, 27, 78, 18, 68, 69, 23, 33, 31, 37, 29, 79, 34, 22, 76, 2, 44, 45, 46, 1, 41, 42, 43]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 32]
  Fragment all atoms: [3, 47, 48, 49, 32]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [4, 32]
  Fragment all atoms: [4, 50, 51, 52, 32]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [5, 32]
  Fragment all atoms: [5, 53, 54, 55, 32]
  

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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