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

Submission ID: 7NG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₄H₉N₁
  Fragment probability: 0.39
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 28, 3]
  Fragment all atoms: [2, 40, 41, 42, 28, 4, 46, 47, 48, 33, 3, 43, 44, 45]
  

• C₅H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 96.1499
  Fragment main chain atoms: [2, 28, 33, 25]
  Fragment all atoms: [2, 40, 41, 42, 28, 3, 4, 43, 44, 45, 46, 47, 48, 33, 25, 34]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 28]
  Fragment all atoms: [2, 40, 41, 42, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 28]
  Fragment all atoms: [3, 43, 44, 45, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [4, 28]
  Fragment all atoms: [4, 46, 47, 48, 28]
  

• C₂H₃N₁O₁
  Fragment probability: 0.50
  Fragment mass: 54.0704
  Fragment main chain atoms: [5, 30, 26]
  Fragment all atoms: [5, 49, 50, 51, 30, 26, 35]
  

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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