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

Submission ID: LZP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 78.06869999999999
  Fragment main chain atoms: [33, 23, 35]
  Fragment all atoms: [33, 41, 23, 75, 76, 35, 43]
  

• C₄H₂N₁O₃
  Fragment probability: 0.44
  Fragment mass: 94.06809999999999
  Fragment main chain atoms: [33, 23, 35, 37]
  Fragment all atoms: [33, 41, 23, 75, 76, 35, 43, 37, 45, 39]
  

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 78.06869999999999
  Fragment main chain atoms: [34, 24, 36]
  Fragment all atoms: [34, 42, 24, 77, 78, 36, 44]
  

• C₄H₂N₁O₃
  Fragment probability: 0.44
  Fragment mass: 94.06809999999999
  Fragment main chain atoms: [34, 24, 36, 38]
  Fragment all atoms: [34, 42, 24, 77, 78, 36, 44, 38, 46, 40]
  

• C₄H₂N₁O₂
  Fragment probability: 0.33
  Fragment mass: 54.0473
  Fragment main chain atoms: [35, 37]
  Fragment all atoms: [35, 23, 75, 76, 33, 43, 37, 45, 39]
  

• C₄H₂N₁O₂
  Fragment probability: 0.33
  Fragment mass: 54.0473
  Fragment main chain atoms: [36, 38]
  Fragment all atoms: [36, 24, 77, 78, 34, 44, 38, 46, 40]
  

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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