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

Submission ID: L29
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.42
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₅H₈N₂O₁
  Fragment probability: 0.42
  Fragment mass: 98.12279999999998
  Fragment main chain atoms: [1, 31, 41, 45]
  Fragment all atoms: [1, 65, 66, 67, 31, 107, 2, 68, 69, 70, 41, 109, 51, 45, 55, 49]
  

• C₈H₁₂N₃O₂
  Fragment probability: 0.42
  Fragment mass: 135.143
  Fragment main chain atoms: [45, 41, 51, 28, 26, 47, 43]
  Fragment all atoms: [45, 55, 49, 41, 109, 31, 107, 1, 2, 65, 66, 67, 68, 69, 70, 51, 28, 102, 103, 26, 98, 99, 47, 43, 53]
  

• C₈H₁₂N₃O₂
  Fragment probability: 0.42
  Fragment mass: 135.143
  Fragment main chain atoms: [46, 42, 52, 29, 27, 48, 44]
  Fragment all atoms: [46, 56, 50, 42, 110, 32, 108, 3, 4, 71, 72, 73, 74, 75, 76, 52, 29, 104, 105, 27, 100, 101, 48, 44, 54]
  

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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