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

Submission ID: QRG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.90

List of identified carbohydrate fragments:

• C₈H₁₀N₂O₅
  Fragment probability: 0.56
  Fragment mass: 202.16430000000003
  Fragment main chain atoms: [9, 5, 8, 10, 13, 7, 11]
  Fragment all atoms: [9, 15, 16, 37, 5, 31, 32, 8, 34, 12, 10, 17, 13, 7, 33, 3, 27, 28, 4, 29, 30, 11, 18, 19, 38]
  

• C₁₀H₁₂N₂O₄
  Fragment probability: 0.45
  Fragment mass: 200.19140000000002
  Fragment main chain atoms: [11, 7, 13, 10, 8, 12, 6, 1]
  Fragment all atoms: [11, 18, 19, 38, 7, 33, 3, 27, 28, 4, 29, 30, 13, 10, 17, 8, 34, 5, 31, 32, 9, 12, 6, 14, 1, 21, 22, 23]
  

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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