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

Submission ID: FD5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.13

List of identified carbohydrate fragments:

• C₅H₁₀N₁O₄
  Fragment probability: 0.82
  Fragment mass: 131.1295
  Fragment main chain atoms: [19, 30, 38, 29]
  Fragment all atoms: [19, 105, 106, 72, 30, 108, 53, 117, 38, 109, 54, 118, 29, 107, 18, 103, 104, 50, 52, 116]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 73.0704
  Fragment main chain atoms: [19, 30]
  Fragment all atoms: [19, 105, 106, 72, 30, 108, 53, 117]
  

• C₅H₁₀O₄
  Fragment probability: 0.90
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [19, 30, 38]
  Fragment all atoms: [19, 105, 106, 72, 30, 108, 53, 117, 38, 109, 29, 107, 18, 103, 104, 52, 116, 54, 118]
  

• C₃H₆N₁O₂
  Fragment probability: 0.71
  Fragment mass: 84.0963
  Fragment main chain atoms: [29, 38]
  Fragment all atoms: [29, 107, 18, 103, 104, 50, 52, 116, 38, 109, 54, 118]
  

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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