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

Submission ID: 0XL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 100.11550000000001
  Fragment main chain atoms: [5, 6, 3, 1]
  Fragment all atoms: [5, 9, 8, 22, 6, 4, 18, 19, 2, 13, 14, 15, 7, 3, 16, 17, 1, 10, 11, 12]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 85.0811
  Fragment main chain atoms: [5, 6]
  Fragment all atoms: [5, 9, 8, 22, 6]
  

• C₃H₅
  Fragment probability: 0.42
  Fragment mass: 100.1155
  Fragment main chain atoms: [1, 3, 6]
  Fragment all atoms: [1, 10, 11, 12, 3, 16, 17, 6]
  

• C₃H₅
  Fragment probability: 0.42
  Fragment mass: 100.1155
  Fragment main chain atoms: [2, 4, 6]
  Fragment all atoms: [2, 13, 14, 15, 4, 18, 19, 6]
  

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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