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

Submission ID: 897
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.57
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₃H₆N₁O₁
  Fragment probability: 0.57
  Fragment mass: 73.0935
  Fragment main chain atoms: [17, 20, 4]
  Fragment all atoms: [17, 66, 67, 33, 20, 69, 28, 4, 43, 44, 45]
  

• C₃H₇N₁
  Fragment probability: 0.36
  Fragment mass: 57.0941
  Fragment main chain atoms: [1, 18, 2]
  Fragment all atoms: [1, 34, 35, 36, 18, 68, 30, 2, 37, 38, 39]
  

• C₄H₇N₁O₁
  Fragment probability: 0.50
  Fragment mass: 109.14869999999999
  Fragment main chain atoms: [1, 18, 30, 25]
  Fragment all atoms: [1, 34, 35, 36, 18, 68, 2, 37, 38, 39, 30, 25, 32]
  

• C₄H₉N₁
  Fragment probability: 0.39
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [5, 26, 6]
  Fragment all atoms: [5, 46, 47, 48, 26, 7, 52, 53, 54, 29, 6, 49, 50, 51]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [5, 26]
  Fragment all atoms: [5, 46, 47, 48, 26]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [6, 26]
  Fragment all atoms: [6, 49, 50, 51, 26]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [7, 26]
  Fragment all atoms: [7, 52, 53, 54, 26]
  

• C₅H₄N₂O₂
  Fragment probability: 0.33
  Fragment mass: 193.24499999999998
  Fragment main chain atoms: [25, 30, 13, 10, 24, 29, 26]
  Fragment all atoms: [25, 32, 30, 13, 61, 62, 10, 57, 58, 24, 31, 29, 26]
  

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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