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

Submission ID: 8XM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₄H₆N₂O₁
  Fragment probability: 0.40
  Fragment mass: 70.0896
  Fragment main chain atoms: [1, 29, 2]
  Fragment all atoms: [1, 41, 42, 43, 29, 27, 38, 33, 34, 2, 44, 45, 46]
  

• C₅H₆N₂O₂
  Fragment probability: 0.42
  Fragment mass: 109.12559999999999
  Fragment main chain atoms: [1, 29, 34, 25]
  Fragment all atoms: [1, 41, 42, 43, 29, 2, 27, 44, 45, 46, 38, 33, 34, 25, 36]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.08959999999999
  Fragment main chain atoms: [1, 29]
  Fragment all atoms: [1, 41, 42, 43, 29]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.08959999999999
  Fragment main chain atoms: [2, 29]
  Fragment all atoms: [2, 44, 45, 46, 29]
  

• C₂H₃N₁O₁
  Fragment probability: 0.50
  Fragment mass: 54.0704
  Fragment main chain atoms: [3, 31, 26]
  Fragment all atoms: [3, 47, 48, 49, 31, 26, 37]
  

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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