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

Submission ID: UB3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.47
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₁₅H₁₉N₃O₅
  Fragment probability: 0.44
  Fragment mass: 319.2073
  Fragment main chain atoms: [11, 30, 20, 21, 12, 31, 23, 17, 18, 22, 16, 19]
  Fragment all atoms: [11, 51, 52, 15, 9, 8, 48, 47, 30, 20, 27, 21, 12, 53, 54, 31, 23, 17, 58, 14, 56, 3, 4, 38, 39, 40, 41, 42, 43, 18, 24, 22, 16, 57, 10, 49, 50, 13, 55, 19, 25, 26, 62]
  

• C₉H₁₃N₂O₃
  Fragment probability: 0.47
  Fragment mass: 186.2078
  Fragment main chain atoms: [19, 16, 22, 18, 17, 14, 3]
  Fragment all atoms: [19, 25, 26, 62, 16, 57, 10, 49, 50, 13, 55, 22, 18, 24, 17, 58, 23, 14, 56, 4, 41, 42, 43, 3, 38, 39, 40]
  

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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