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

Submission ID: 640
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.60
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₄H₃N₁O₃
  Fragment probability: 0.50
  Fragment mass: 99.0647
  Fragment main chain atoms: [19, 9, 8]
  Fragment all atoms: [19, 27, 26, 51, 9, 43, 8, 42, 18, 25, 23]
  

• C₄H₃O₂
  Fragment probability: 0.44
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [19, 9]
  Fragment all atoms: [19, 27, 26, 51, 9, 43, 8, 42, 18]
  

• C₅H₃N₂O₄
  Fragment probability: 0.46
  Fragment mass: 153.1153
  Fragment main chain atoms: [19, 9, 8, 18, 23, 24, 20]
  Fragment all atoms: [19, 27, 26, 51, 9, 43, 8, 42, 18, 25, 23, 24, 20, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [1, 21]
  Fragment all atoms: [1, 29, 30, 31, 21]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [2, 21]
  Fragment all atoms: [2, 32, 33, 34, 21]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [3, 21]
  Fragment all atoms: [3, 35, 36, 37, 21]
  

• C₂N₂O₂
  Fragment probability: 0.60
  Fragment mass: 79.0799
  Fragment main chain atoms: [18, 23, 24, 20]
  Fragment all atoms: [18, 25, 23, 24, 20, 28]
  

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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