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

Submission ID: 5FP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.55
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₈H₁₀N₂O₄
  Fragment probability: 0.50
  Fragment mass: 200.19140000000007
  Fragment main chain atoms: [19, 10, 16, 23, 38, 24, 14, 7]
  Fragment all atoms: [19, 44, 45, 93, 10, 74, 75, 16, 81, 41, 92, 23, 85, 28, 38, 24, 46, 14, 79, 35, 7, 67, 68, 69]
  

• C₅H₆N₁O₃
  Fragment probability: 0.55
  Fragment mass: 129.1137
  Fragment main chain atoms: [19, 10, 16, 23, 28]
  Fragment all atoms: [19, 44, 45, 93, 10, 74, 75, 16, 81, 41, 92, 23, 85, 38, 28]
  

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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