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

Submission ID: IN6
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.41
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₁₀H₈N₃O₄
  Fragment probability: 0.35
  Fragment mass: 208.1738
  Fragment main chain atoms: [17, 41, 30, 33, 24, 27, 35, 36, 28]
  Fragment all atoms: [17, 70, 71, 22, 11, 12, 62, 63, 41, 30, 39, 33, 24, 77, 15, 66, 67, 20, 75, 27, 37, 35, 36, 28, 38]
  

• C₇H₁₀N₃O₂
  Fragment probability: 0.41
  Fragment mass: 181.21449999999996
  Fragment main chain atoms: [1, 20, 15, 24, 27, 35, 36, 28]
  Fragment all atoms: [1, 44, 45, 46, 20, 75, 2, 47, 48, 49, 15, 66, 67, 24, 77, 33, 27, 37, 35, 36, 28, 38]
  

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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