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

Submission ID: ZDR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₂N₂O₄
  Fragment probability: 0.56
  Fragment mass: 188.20050000000003
  Fragment main chain atoms: [6, 5, 3, 2, 4, 8, 7]
  Fragment all atoms: [6, 11, 12, 29, 5, 24, 9, 3, 20, 21, 2, 18, 19, 4, 22, 23, 8, 1, 15, 16, 17, 10, 7, 13, 14, 30]
  

• C₅H₈N₁O₂
  Fragment probability: 0.55
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [7, 8, 1]
  Fragment all atoms: [7, 13, 14, 30, 8, 4, 22, 23, 2, 18, 19, 10, 1, 15, 16, 17]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [7, 8]
  Fragment all atoms: [7, 13, 14, 30, 8]
  

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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