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

Submission ID: SDR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.78

List of identified carbohydrate fragments:

• C₈H₁₀N₂O₅
  Fragment probability: 0.56
  Fragment mass: 202.16430000000003
  Fragment main chain atoms: [13, 9, 12, 14, 17, 11, 15]
  Fragment all atoms: [13, 19, 20, 48, 9, 42, 43, 12, 45, 16, 14, 21, 17, 11, 44, 8, 40, 41, 7, 38, 39, 15, 22, 23, 49]
  

• C₁₀H₁₂N₂O₄
  Fragment probability: 0.45
  Fragment mass: 200.19140000000002
  Fragment main chain atoms: [15, 11, 17, 14, 12, 16, 10, 2]
  Fragment all atoms: [15, 22, 23, 49, 11, 44, 8, 40, 41, 7, 38, 39, 17, 14, 21, 12, 45, 9, 42, 43, 13, 16, 10, 18, 2, 27, 28, 29]
  

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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