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

Submission ID: FSD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000004
  Fragment main chain atoms: [24, 23, 22, 16, 43, 26, 78, 38, 86, 77, 37, 85]
  Fragment all atoms: [24, 23, 22, 76, 34, 16, 73, 2, 48, 49, 50, 43, 26, 79, 44, 78, 38, 86, 77, 37, 85]
  

• C₄H₆N₂O₂
  Fragment probability: 0.50
  Fragment mass: 86.089
  Fragment main chain atoms: [14, 29, 3]
  Fragment all atoms: [14, 70, 71, 36, 84, 29, 27, 40, 31, 30, 3, 51, 52, 53]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 70.0896
  Fragment main chain atoms: [14, 29]
  Fragment all atoms: [14, 70, 71, 36, 84, 29]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.0896
  Fragment main chain atoms: [3, 29]
  Fragment all atoms: [3, 51, 52, 53, 29]
  

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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