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

Submission ID: CMD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [45, 22, 8, 18, 27, 14, 37, 75, 77]
  Fragment all atoms: [45, 22, 74, 46, 8, 60, 61, 18, 72, 34, 27, 14, 70, 1, 47, 48, 49, 37, 75, 77]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 72.0625
  Fragment main chain atoms: [12, 21]
  Fragment all atoms: [12, 66, 67, 35, 76, 21, 32, 10, 9, 64, 65, 62, 63, 42, 80, 36]
  

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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