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

Submission ID: FSP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₁₀H₁₃N₁O₃
  Fragment probability: 0.45
  Fragment mass: 152.12720000000002
  Fragment main chain atoms: [15, 32, 22, 26, 18, 20]
  Fragment all atoms: [15, 56, 57, 23, 11, 12, 14, 49, 50, 51, 52, 54, 55, 32, 22, 31, 26, 18, 58, 5, 42, 43, 3, 38, 39, 20, 29]
  

• C₁₁H₁₃N₂O₄
  Fragment probability: 0.44
  Fragment mass: 168.12660000000002
  Fragment main chain atoms: [15, 32, 22, 26, 18, 20, 21]
  Fragment all atoms: [15, 56, 57, 23, 11, 12, 14, 49, 50, 51, 52, 54, 55, 32, 22, 31, 26, 18, 58, 5, 42, 43, 3, 38, 39, 20, 29, 21, 30, 27]
  

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 68.054
  Fragment main chain atoms: [20, 21]
  Fragment all atoms: [20, 18, 58, 5, 42, 43, 26, 29, 21, 30, 27]
  

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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