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

Submission ID: H1V
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 0.16

List of identified carbohydrate fragments:

• C₆H₁₂N₂O₂
  Fragment probability: 0.57
  Fragment mass: 146.18699999999998
  Fragment main chain atoms: [17, 59, 19, 20, 60, 18]
  Fragment all atoms: [17, 93, 94, 15, 89, 90, 47, 59, 19, 97, 98, 20, 99, 100, 60, 18, 95, 96, 16, 91, 92, 48]
  

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 103.11939999999998
  Fragment main chain atoms: [17, 59, 19]
  Fragment all atoms: [17, 93, 94, 15, 89, 90, 47, 59, 19, 97, 98, 20, 99, 100, 60]
  

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 103.11939999999998
  Fragment main chain atoms: [18, 60, 20, 19]
  Fragment all atoms: [18, 95, 96, 16, 91, 92, 48, 60, 20, 99, 100, 19, 97, 98, 59]
  

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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