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

Submission ID: 0Y3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.28

List of identified carbohydrate fragments:

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 73.0935
  Fragment main chain atoms: [1, 37, 2]
  Fragment all atoms: [1, 79, 80, 81, 37, 133, 75, 2, 82, 83, 84]
  

• C₇H₁₂N₂O₂
  Fragment probability: 0.50
  Fragment mass: 128.1487
  Fragment main chain atoms: [1, 37, 75, 61, 47, 53]
  Fragment all atoms: [1, 79, 80, 81, 37, 133, 2, 82, 83, 84, 75, 61, 47, 135, 30, 120, 121, 34, 128, 129, 53, 67, 59]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 73.0935
  Fragment main chain atoms: [3, 38, 4]
  Fragment all atoms: [3, 85, 86, 87, 38, 134, 76, 4, 88, 89, 90]
  

• C₇H₁₂N₂O₂
  Fragment probability: 0.50
  Fragment mass: 128.1487
  Fragment main chain atoms: [3, 38, 76, 62, 48, 54]
  Fragment all atoms: [3, 85, 86, 87, 38, 134, 4, 88, 89, 90, 76, 62, 48, 136, 31, 122, 123, 35, 130, 131, 54, 68, 60]
  

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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