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

Submission ID: NZV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₈H₇N₄O₄
  Fragment probability: 0.38
  Fragment mass: 212.1625
  Fragment main chain atoms: [16, 10, 21, 11, 9, 25, 34, 2]
  Fragment all atoms: [16, 33, 32, 57, 10, 49, 14, 50, 22, 21, 11, 27, 9, 7, 5, 48, 20, 25, 34, 2, 41, 42, 43]
  

• C₅H₃N₂O₃
  Fragment probability: 0.38
  Fragment mass: 167.12199999999999
  Fragment main chain atoms: [16, 10, 21, 11, 9]
  Fragment all atoms: [16, 33, 32, 57, 10, 49, 14, 50, 22, 21, 11, 27, 9]
  

• C₄H₃N₂O₃
  Fragment probability: 0.45
  Fragment mass: 139.11190000000002
  Fragment main chain atoms: [16, 10, 21, 11]
  Fragment all atoms: [16, 33, 32, 57, 10, 49, 14, 50, 22, 21, 11, 27]
  

• C₂H₃N₁O₁
  Fragment probability: 0.50
  Fragment mass: 97.072
  Fragment main chain atoms: [2, 34, 25, 9]
  Fragment all atoms: [2, 41, 42, 43, 34, 25, 9]
  

• C₂N₁O₁
  Fragment probability: 0.20
  Fragment mass: 66.0382
  Fragment main chain atoms: [9, 11]
  Fragment all atoms: [9, 11, 27, 21]
  

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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