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

Submission ID: 1T9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₆H₉N₁O₁
  Fragment probability: 0.42
  Fragment mass: 84.0963
  Fragment main chain atoms: [21, 25, 28]
  Fragment all atoms: [21, 76, 19, 73, 18, 71, 72, 25, 82, 24, 81, 23, 79, 80, 27, 28, 84]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 128.14870000000002
  Fragment main chain atoms: [23, 24, 25, 21, 19]
  Fragment all atoms: [23, 79, 80, 33, 24, 81, 27, 25, 82, 28, 84, 21, 76, 19, 73, 18, 71, 72, 16, 67, 68]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 114.12220000000002
  Fragment main chain atoms: [23, 24, 25, 21]
  Fragment all atoms: [23, 79, 80, 33, 24, 81, 27, 25, 82, 28, 84, 21, 76]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [19, 21]
  Fragment all atoms: [19, 73, 18, 71, 72, 16, 67, 68, 21, 76, 25, 82, 24, 81, 28, 84]
  

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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