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

Submission ID: 0QJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₅H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 144.1283
  Fragment main chain atoms: [19, 20, 23, 37, 17]
  Fragment all atoms: [19, 65, 34, 72, 20, 66, 35, 73, 23, 67, 33, 37, 17, 64, 12, 60, 61, 32]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [1, 25]
  Fragment all atoms: [1, 38, 39, 40, 25]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [2, 25]
  Fragment all atoms: [2, 41, 42, 43, 25]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [3, 25]
  Fragment all atoms: [3, 44, 45, 46, 25]
  

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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