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

Submission ID: C3A
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 57.071
  Fragment main chain atoms: [15, 2, 1]
  Fragment all atoms: [15, 61, 62, 40, 2, 44, 1, 42, 43]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 57.071
  Fragment main chain atoms: [15, 2]
  Fragment all atoms: [15, 61, 62, 40, 2, 44]
  

• C₈H₁₀N₁O₃
  Fragment probability: 0.47
  Fragment mass: 165.14909999999998
  Fragment main chain atoms: [15, 40, 31, 34, 26, 28]
  Fragment all atoms: [15, 61, 62, 2, 44, 1, 42, 43, 40, 31, 39, 34, 26, 73, 12, 55, 56, 9, 51, 52, 28, 37]
  

• C₇H₈N₁O₃
  Fragment probability: 0.47
  Fragment mass: 179.17559999999997
  Fragment main chain atoms: [2, 15, 40, 31, 34, 26, 28]
  Fragment all atoms: [2, 44, 15, 61, 62, 40, 31, 39, 34, 26, 73, 12, 55, 56, 9, 51, 52, 28, 37]
  

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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