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

Submission ID: CAV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.71
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₉H₁₆N₁O₄
  Fragment probability: 0.63
  Fragment mass: 143.14020000000005
  Fragment main chain atoms: [15, 12, 14, 13]
  Fragment all atoms: [15, 19, 20, 49, 12, 42, 9, 39, 1, 2, 21, 22, 23, 24, 25, 26, 14, 44, 18, 48, 13, 43, 11, 41, 8, 37, 38, 16, 17, 47]
  

• C₆H₁₁O₃
  Fragment probability: 0.71
  Fragment mass: 114.09910000000002
  Fragment main chain atoms: [15, 12, 14]
  Fragment all atoms: [15, 19, 20, 49, 12, 42, 9, 39, 1, 2, 21, 22, 23, 24, 25, 26, 14, 44, 18, 48]
  

• C₇H₉N₁O₂
  Fragment probability: 0.43
  Fragment mass: 68.0969
  Fragment main chain atoms: [13, 14]
  Fragment all atoms: [13, 43, 11, 41, 8, 37, 38, 16, 17, 47, 14, 44, 12, 42, 9, 15, 39, 18, 48]
  

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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