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

Submission ID: PL1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.19

List of identified carbohydrate fragments:

• C₉H₁₀N₂O₄
  Fragment probability: 0.45
  Fragment mass: 197.1908
  Fragment main chain atoms: [4, 25, 59, 47, 37, 64, 46]
  Fragment all atoms: [4, 87, 88, 89, 25, 118, 38, 124, 23, 116, 68, 143, 59, 47, 75, 37, 123, 39, 125, 30, 69, 144, 64, 46, 74]
  

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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