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

Submission ID: 161
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.59
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₅H₇N₁O₃
  Fragment probability: 0.59
  Fragment mass: 130.1216
  Fragment main chain atoms: [18, 9, 16, 11, 1]
  Fragment all atoms: [18, 25, 26, 51, 9, 43, 44, 16, 47, 22, 11, 23, 1, 33, 34, 35]
  

• C₆H₇N₁O₄
  Fragment probability: 0.58
  Fragment mass: 139.1086
  Fragment main chain atoms: [18, 9, 16, 22, 19]
  Fragment all atoms: [18, 25, 26, 51, 9, 43, 44, 16, 47, 11, 1, 33, 34, 35, 23, 22, 19, 27]
  

• C₆H₆N₁O₂
  Fragment probability: 0.38
  Fragment mass: 109.1256
  Fragment main chain atoms: [1, 11, 16, 22, 19]
  Fragment all atoms: [1, 33, 34, 35, 11, 23, 16, 47, 9, 43, 44, 18, 22, 19, 27]
  

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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