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

Submission ID: ONO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.26

List of identified carbohydrate fragments:

• C₆H₁₁N₁O₁
  Fragment probability: 0.50
  Fragment mass: 114.16510000000002
  Fragment main chain atoms: [14, 21, 28, 1]
  Fragment all atoms: [14, 61, 34, 21, 62, 32, 28, 2, 3, 43, 44, 45, 46, 47, 48, 1, 40, 41, 42]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 93.08330000000001
  Fragment main chain atoms: [14, 21, 32, 25]
  Fragment all atoms: [14, 61, 34, 21, 62, 28, 1, 2, 3, 40, 41, 42, 43, 44, 45, 46, 47, 48, 32, 25, 35]
  

• C₄H₂N₁O₂
  Fragment probability: 0.33
  Fragment mass: 138.1865
  Fragment main chain atoms: [25, 32, 21, 28]
  Fragment all atoms: [25, 35, 32, 21, 62, 14, 61, 34, 28]
  

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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