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

Submission ID: TC2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.40
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₆H₈N₃O₂
  Fragment probability: 0.40
  Fragment mass: 176.2179
  Fragment main chain atoms: [24, 27, 10, 13, 30, 14, 11, 28, 25]
  Fragment all atoms: [24, 37, 27, 10, 50, 51, 13, 56, 57, 30, 14, 58, 59, 11, 52, 53, 28, 25, 38]
  

• C₆H₈N₃O₂
  Fragment probability: 0.40
  Fragment mass: 190.22459999999998
  Fragment main chain atoms: [24, 27, 10, 13, 30, 15, 12, 29, 26]
  Fragment all atoms: [24, 37, 27, 10, 50, 51, 13, 56, 57, 30, 15, 60, 61, 12, 54, 55, 29, 26, 39]
  

• C₆H₈N₃O₂
  Fragment probability: 0.40
  Fragment mass: 190.22459999999998
  Fragment main chain atoms: [25, 28, 11, 14, 30, 15, 12, 29, 26]
  Fragment all atoms: [25, 38, 28, 11, 52, 53, 14, 58, 59, 30, 15, 60, 61, 12, 54, 55, 29, 26, 39]
  

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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