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

Submission ID: 6MK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.60
• Compound probability: 0.46

List of identified carbohydrate fragments:

• C₄H₃N₁O₃
  Fragment probability: 0.50
  Fragment mass: 99.0647
  Fragment main chain atoms: [16, 7, 6]
  Fragment all atoms: [16, 23, 22, 39, 7, 31, 6, 30, 15, 21, 19]
  

• C₄H₃O₂
  Fragment probability: 0.44
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [16, 7]
  Fragment all atoms: [16, 23, 22, 39, 7, 31, 6, 30, 15]
  

• C₅H₃N₂O₄
  Fragment probability: 0.46
  Fragment mass: 153.1153
  Fragment main chain atoms: [16, 7, 6, 15, 19, 20, 17]
  Fragment all atoms: [16, 23, 22, 39, 7, 31, 6, 30, 15, 21, 19, 20, 17, 24]
  

• C₂N₂O₂
  Fragment probability: 0.60
  Fragment mass: 79.0799
  Fragment main chain atoms: [15, 19, 20, 17]
  Fragment all atoms: [15, 21, 19, 20, 17, 24]
  

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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