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

Submission ID: OOP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₃H₄O₁
  Fragment probability: 0.50
  Fragment mass: 83.10820000000001
  Fragment main chain atoms: [5, 4, 11]
  Fragment all atoms: [5, 58, 59, 42, 4, 56, 57, 11]
  

• C₅H₁₀N₁O₄
  Fragment probability: 0.82
  Fragment mass: 131.1295
  Fragment main chain atoms: [10, 18, 19, 17]
  Fragment all atoms: [10, 66, 67, 43, 18, 70, 30, 76, 19, 71, 31, 77, 17, 69, 8, 62, 63, 27, 29, 75]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 73.0704
  Fragment main chain atoms: [10, 18]
  Fragment all atoms: [10, 66, 67, 43, 18, 70, 30, 76]
  

• C₅H₁₀O₄
  Fragment probability: 0.90
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [10, 18, 19]
  Fragment all atoms: [10, 66, 67, 43, 18, 70, 30, 76, 19, 71, 17, 69, 8, 62, 63, 29, 75, 31, 77]
  

• C₃H₆N₁O₂
  Fragment probability: 0.71
  Fragment mass: 84.0963
  Fragment main chain atoms: [17, 19]
  Fragment all atoms: [17, 69, 8, 62, 63, 27, 29, 75, 19, 71, 31, 77]
  

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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