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

Submission ID: XY2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.57
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₃H₆N₁O₁
  Fragment probability: 0.57
  Fragment mass: 100.11880000000001
  Fragment main chain atoms: [1, 8, 15, 2]
  Fragment all atoms: [1, 22, 23, 24, 8, 18, 15, 2, 25, 26, 27]
  

• C₅H₁₀N₂O₁
  Fragment probability: 0.50
  Fragment mass: 169.20380000000003
  Fragment main chain atoms: [1, 8, 15, 6, 7, 16, 3]
  Fragment all atoms: [1, 22, 23, 24, 8, 18, 15, 6, 33, 34, 7, 35, 36, 16, 3, 28, 29, 30]
  

• C₄H₁₀N₂
  Fragment probability: 0.30
  Fragment mass: 140.1627
  Fragment main chain atoms: [2, 15, 6, 7, 16, 3]
  Fragment all atoms: [2, 25, 26, 27, 15, 6, 33, 34, 7, 35, 36, 16, 3, 28, 29, 30]
  

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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