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

Submission ID: 962
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.55
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₁₂N₁O₂
  Fragment probability: 0.55
  Fragment mass: 146.18699999999998
  Fragment main chain atoms: [4, 3, 9, 5, 7, 1]
  Fragment all atoms: [4, 21, 22, 10, 29, 3, 19, 20, 9, 5, 23, 24, 7, 27, 11, 30, 1, 13, 14, 15]
  

• C₅H₁₂N₁O₂
  Fragment probability: 0.55
  Fragment mass: 146.18699999999998
  Fragment main chain atoms: [4, 3, 9, 6, 8, 2]
  Fragment all atoms: [4, 21, 22, 10, 29, 3, 19, 20, 9, 6, 25, 26, 8, 28, 12, 31, 2, 16, 17, 18]
  

• C₆H₁₄N₁O₂
  Fragment probability: 0.54
  Fragment mass: 160.21349999999998
  Fragment main chain atoms: [1, 7, 5, 9, 6, 8, 2]
  Fragment all atoms: [1, 13, 14, 15, 7, 27, 11, 30, 5, 23, 24, 9, 6, 25, 26, 8, 28, 12, 31, 2, 16, 17, 18]
  

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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