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

Submission ID: ZYG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.52
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 99.13070000000002
  Fragment main chain atoms: [35, 52, 23, 1]
  Fragment all atoms: [35, 98, 26, 96, 15, 79, 80, 37, 48, 103, 52, 23, 94, 21, 90, 91, 29, 1, 53, 54, 55]
  

• C₉H₁₅N₂O₃
  Fragment probability: 0.52
  Fragment mass: 201.22240000000005
  Fragment main chain atoms: [35, 26, 15, 10, 11, 19, 39, 30]
  Fragment all atoms: [35, 98, 48, 52, 103, 26, 96, 37, 15, 79, 80, 10, 70, 71, 11, 72, 73, 19, 86, 87, 39, 30, 17, 82, 83, 5, 62, 63, 43]
  

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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