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

Submission ID: JH0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.47
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₇H₉N₁O₂
  Fragment probability: 0.43
  Fragment mass: 98.12280000000001
  Fragment main chain atoms: [57, 72, 44, 2]
  Fragment all atoms: [57, 49, 154, 37, 139, 140, 60, 69, 72, 44, 152, 42, 148, 149, 52, 2, 78, 79, 80]
  

• C₉H₁₃N₂O₃
  Fragment probability: 0.47
  Fragment mass: 199.20660000000004
  Fragment main chain atoms: [57, 49, 37, 27, 29, 40, 62, 53]
  Fragment all atoms: [57, 69, 72, 49, 154, 60, 37, 139, 140, 27, 124, 125, 29, 128, 129, 40, 144, 145, 62, 53, 39, 142, 143, 24, 120, 121, 66]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 58]
  Fragment all atoms: [3, 81, 82, 83, 58]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [4, 58]
  Fragment all atoms: [4, 84, 85, 86, 58]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [5, 58]
  Fragment all atoms: [5, 87, 88, 89, 58]
  

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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