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

Submission ID: CEW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.46

List of identified carbohydrate fragments:

• C₅H₃N₂O₂
  Fragment probability: 0.29
  Fragment mass: 152.1305
  Fragment main chain atoms: [3, 7, 16, 11, 10]
  Fragment all atoms: [3, 33, 20, 7, 37, 12, 38, 18, 16, 11, 21, 10]
  

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 123.1125
  Fragment main chain atoms: [3, 7, 16, 11]
  Fragment all atoms: [3, 33, 20, 7, 37, 12, 38, 18, 16, 11, 21]
  

• C₂H₃N₁O₁
  Fragment probability: 0.50
  Fragment mass: 97.072
  Fragment main chain atoms: [2, 24, 19, 10]
  Fragment all atoms: [2, 30, 31, 32, 24, 19, 10]
  

• C₂N₁O₁
  Fragment probability: 0.20
  Fragment mass: 67.0461
  Fragment main chain atoms: [10, 11]
  Fragment all atoms: [10, 11, 21, 16]
  

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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