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

Submission ID: JWM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 69.0817
  Fragment main chain atoms: [13, 7, 5]
  Fragment all atoms: [13, 44, 45, 22, 49, 7, 38, 39, 5]
  

• C₅H₇N₂O₁
  Fragment probability: 0.38
  Fragment mass: 98.1228
  Fragment main chain atoms: [1, 19, 16, 18]
  Fragment all atoms: [1, 29, 30, 31, 19, 2, 32, 33, 34, 16, 46, 20, 18, 24, 21]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.1127
  Fragment main chain atoms: [1, 19]
  Fragment all atoms: [1, 29, 30, 31, 19]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.1127
  Fragment main chain atoms: [2, 19]
  Fragment all atoms: [2, 32, 33, 34, 19]
  

• C₆H₁₀N₂O₁
  Fragment probability: 0.43
  Fragment mass: 177.22100000000003
  Fragment main chain atoms: [3, 28, 19, 16, 18]
  Fragment all atoms: [3, 35, 36, 37, 28, 19, 1, 2, 29, 30, 31, 32, 33, 34, 16, 46, 20, 18, 24, 21]
  

• C₆H₇N₂O₂
  Fragment probability: 0.39
  Fragment mass: 92.0754
  Fragment main chain atoms: [18, 16, 20, 17]
  Fragment all atoms: [18, 24, 21, 16, 46, 19, 1, 2, 29, 30, 31, 32, 33, 34, 20, 17, 23]
  

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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