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

Submission ID: J0J
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.56

List of identified carbohydrate fragments:

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 88.08500000000001
  Fragment main chain atoms: [16, 9, 2]
  Fragment all atoms: [16, 28, 27, 61, 9, 50, 21, 2, 36, 37, 38]
  

• C₇H₁₀N₂O₃
  Fragment probability: 0.50
  Fragment mass: 159.1627
  Fragment main chain atoms: [18, 12, 23, 14, 8, 1]
  Fragment all atoms: [18, 32, 31, 63, 12, 53, 6, 45, 46, 7, 47, 48, 23, 14, 25, 8, 49, 19, 1, 33, 35, 34]
  

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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