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

Submission ID: F6M
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 113.1143
  Fragment main chain atoms: [2, 22, 37, 5]
  Fragment all atoms: [2, 43, 44, 45, 22, 74, 28, 39, 32, 37, 5, 52, 53, 54]
  

• C₄H₄N₂O₂
  Fragment probability: 0.40
  Fragment mass: 124.14020000000001
  Fragment main chain atoms: [2, 22, 37, 26]
  Fragment all atoms: [2, 43, 44, 45, 22, 74, 28, 39, 32, 37, 26, 38]
  

• C₃H₆N₁
  Fragment probability: 0.43
  Fragment mass: 98.14590000000001
  Fragment main chain atoms: [3, 36, 19, 10]
  Fragment all atoms: [3, 46, 47, 48, 36, 19, 71, 72, 10, 61]
  

• C₃H₆N₁
  Fragment probability: 0.43
  Fragment mass: 98.14590000000001
  Fragment main chain atoms: [4, 36, 19, 10]
  Fragment all atoms: [4, 49, 50, 51, 36, 19, 71, 72, 10, 61]
  

• C₅H₇N₁O₁
  Fragment probability: 0.41
  Fragment mass: 110.11370000000001
  Fragment main chain atoms: [5, 37, 26, 12]
  Fragment all atoms: [5, 52, 53, 54, 37, 26, 38, 12, 62, 10, 61, 19, 71, 72]
  

• C₂H₃N₁O₁
  Fragment probability: 0.50
  Fragment mass: 81.09570000000001
  Fragment main chain atoms: [5, 37, 26]
  Fragment all atoms: [5, 52, 53, 54, 37, 26, 38]
  

• C₄H₄N₁O₁
  Fragment probability: 0.33
  Fragment mass: 54.0473
  Fragment main chain atoms: [12, 26]
  Fragment all atoms: [12, 62, 10, 61, 19, 71, 72, 26, 38, 37]
  

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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