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

Submission ID: YBY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.68
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 0.68
  Fragment mass: 146.121
  Fragment main chain atoms: [12, 4, 2, 9, 13]
  Fragment all atoms: [12, 21, 20, 41, 4, 31, 32, 2, 28, 29, 9, 36, 17, 13, 22, 23, 42]
  

• C₉H₁₀N₂O₅
  Fragment probability: 0.50
  Fragment mass: 202.16430000000003
  Fragment main chain atoms: [13, 9, 17, 15, 18, 10, 14]
  Fragment all atoms: [13, 22, 23, 42, 9, 36, 2, 28, 29, 4, 31, 32, 17, 15, 26, 18, 10, 37, 6, 34, 35, 7, 14, 24, 25, 43]
  

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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