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

Submission ID: GT5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.44
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₄H₆N₁O₁
  Fragment probability: 0.44
  Fragment mass: 73.0935
  Fragment main chain atoms: [16, 38, 4]
  Fragment all atoms: [16, 71, 72, 23, 76, 26, 32, 38, 4, 50, 51, 52]
  

• C₈H₇N₃O₄
  Fragment probability: 0.39
  Fragment mass: 180.16039999999998
  Fragment main chain atoms: [16, 23, 32, 25, 22, 31, 27]
  Fragment all atoms: [16, 71, 72, 38, 23, 76, 26, 34, 30, 32, 25, 33, 22, 75, 12, 64, 65, 17, 73, 31, 27, 35]
  

• C₉H₁₀N₃O₄
  Fragment probability: 0.43
  Fragment mass: 195.1948
  Fragment main chain atoms: [4, 38, 16, 23, 32, 25, 22, 31, 27]
  Fragment all atoms: [4, 50, 51, 52, 38, 16, 71, 72, 23, 76, 26, 34, 30, 32, 25, 33, 22, 75, 12, 64, 65, 17, 73, 31, 27, 35]
  

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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