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

Submission ID: UR2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.54
• Compound probability: 0.46

List of identified carbohydrate fragments:

• C₆H₉N₂O₃
  Fragment probability: 0.54
  Fragment mass: 186.18800000000002
  Fragment main chain atoms: [22, 14, 13, 21, 24, 27, 1]
  Fragment all atoms: [22, 29, 30, 74, 14, 63, 64, 13, 61, 62, 21, 72, 26, 24, 33, 27, 1, 40, 41, 42]
  

• C₈H₁₁N₃O₄
  Fragment probability: 0.50
  Fragment mass: 256.238
  Fragment main chain atoms: [23, 17, 28, 25, 26, 21, 24, 27, 1]
  Fragment all atoms: [23, 31, 32, 75, 17, 69, 70, 28, 25, 34, 26, 21, 72, 13, 61, 62, 14, 63, 64, 24, 33, 27, 1, 40, 41, 42]
  

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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