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

Submission ID: CE0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 104.08439999999999
  Fragment main chain atoms: [3, 7, 14]
  Fragment all atoms: [3, 40, 41, 31, 7, 46, 18, 14, 26, 25, 58]
  

• C₁₁H₁₂N₅O₄
  Fragment probability: 0.37
  Fragment mass: 257.24590000000006
  Fragment main chain atoms: [3, 31, 16, 11, 21, 12, 10, 23, 30, 2]
  Fragment all atoms: [3, 40, 41, 7, 46, 14, 18, 31, 16, 29, 11, 49, 13, 50, 22, 21, 12, 24, 10, 48, 8, 47, 5, 44, 45, 20, 23, 30, 2, 37, 38, 39]
  

• C₁₁H₁₃N₅O₆
  Fragment probability: 0.46
  Fragment mass: 302.2633
  Fragment main chain atoms: [14, 7, 3, 31, 16, 11, 21, 12, 10, 23, 30, 2]
  Fragment all atoms: [14, 26, 25, 58, 7, 46, 18, 3, 40, 41, 31, 16, 29, 11, 49, 13, 50, 22, 21, 12, 24, 10, 48, 8, 47, 5, 44, 45, 20, 23, 30, 2, 37, 38, 39]
  

• C₈H₉N₄O₄
  Fragment probability: 0.43
  Fragment mass: 214.1783
  Fragment main chain atoms: [16, 11, 21, 12, 10, 23, 30, 2]
  Fragment all atoms: [16, 31, 29, 11, 49, 13, 50, 22, 21, 12, 24, 10, 48, 8, 47, 5, 44, 45, 20, 23, 30, 2, 37, 38, 39]
  

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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