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

Submission ID: RO1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₈H₁₂N₂O₃
  Fragment probability: 0.50
  Fragment mass: 235.25700000000003
  Fragment main chain atoms: [24, 32, 40, 33, 37, 50, 6]
  Fragment all atoms: [24, 94, 95, 49, 32, 44, 40, 33, 100, 35, 46, 39, 37, 4, 5, 60, 61, 62, 63, 64, 65, 50, 6, 66, 67, 68]
  

• C₄H₉N₁
  Fragment probability: 0.39
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 36, 2]
  Fragment all atoms: [1, 51, 52, 53, 36, 3, 57, 58, 59, 41, 2, 54, 55, 56]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 36]
  Fragment all atoms: [1, 51, 52, 53, 36]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 36]
  Fragment all atoms: [2, 54, 55, 56, 36]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 36]
  Fragment all atoms: [3, 57, 58, 59, 36]
  

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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