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

Submission ID: NZM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.81
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₅H₃N₂O₂
  Fragment probability: 0.29
  Fragment mass: 151.1226
  Fragment main chain atoms: [3, 8, 18, 13, 12]
  Fragment all atoms: [3, 34, 22, 8, 40, 14, 41, 20, 18, 13, 25, 12]
  

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 123.1125
  Fragment main chain atoms: [3, 8, 18, 13]
  Fragment all atoms: [3, 34, 22, 8, 40, 14, 41, 20, 18, 13, 25]
  

• C₃H₃N₁O₃
  Fragment probability: 0.81
  Fragment mass: 141.0815
  Fragment main chain atoms: [4, 28, 21, 12]
  Fragment all atoms: [4, 35, 36, 10, 23, 24, 46, 28, 21, 12]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 39.0558
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 31, 32, 2, 33]
  

• C₂N₁O₁
  Fragment probability: 0.20
  Fragment mass: 66.0382
  Fragment main chain atoms: [12, 13]
  Fragment all atoms: [12, 13, 25, 18]
  

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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