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

Submission ID: MMM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₄H₇N₁O₃
  Fragment probability: 0.72
  Fragment mass: 103.09629999999999
  Fragment main chain atoms: [6, 12, 11]
  Fragment all atoms: [6, 34, 35, 15, 36, 12, 2, 27, 28, 29, 14, 11, 17, 18, 38]
  

• C₅H₈N₁O₃
  Fragment probability: 0.64
  Fragment mass: 142.1323
  Fragment main chain atoms: [6, 12, 14, 4]
  Fragment all atoms: [6, 34, 35, 15, 36, 12, 2, 11, 27, 28, 29, 17, 18, 38, 14, 4, 31]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 103.09629999999999
  Fragment main chain atoms: [6, 12]
  Fragment all atoms: [6, 34, 35, 15, 36, 12]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [11, 12]
  Fragment all atoms: [11, 17, 18, 38, 12]
  

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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