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

Submission ID: G28
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₉H₁₁N₃O₅
  Fragment probability: 1.00
  Fragment mass: 229.2094
  Fragment main chain atoms: [10, 8, 6, 9, 21, 11, 7, 43, 3, 17, 15]
  Fragment all atoms: [10, 39, 8, 37, 14, 6, 35, 36, 9, 38, 13, 19, 20, 44, 21, 11, 40, 12, 18, 16, 7, 43, 3, 28, 29, 30, 17, 15]
  

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 112.1295
  Fragment main chain atoms: [1, 4, 16, 12]
  Fragment all atoms: [1, 22, 23, 24, 4, 31, 32, 16, 12, 18]
  

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 112.1295
  Fragment main chain atoms: [2, 5, 16, 12]
  Fragment all atoms: [2, 25, 26, 27, 5, 33, 34, 16, 12, 18]
  

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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