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

Submission ID: GRD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.55

List of identified carbohydrate fragments:

• C₁₄H₁₆N₃O₅
  Fragment probability: 0.42
  Fragment mass: 240.21220000000002
  Fragment main chain atoms: [14, 40, 27, 34, 20, 25, 33, 19, 22, 26]
  Fragment all atoms: [14, 65, 66, 18, 9, 10, 57, 58, 40, 27, 39, 34, 20, 71, 13, 63, 64, 17, 69, 25, 37, 33, 19, 70, 4, 50, 51, 1, 41, 42, 43, 22, 72, 36, 78, 26, 38, 29]
  

• C₅H₈N₂O₂
  Fragment probability: 0.50
  Fragment mass: 115.1301
  Fragment main chain atoms: [1, 4, 19, 22, 26]
  Fragment all atoms: [1, 41, 42, 43, 4, 50, 51, 19, 70, 33, 22, 72, 36, 78, 26, 38, 29]
  

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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