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

Submission ID: 98H
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.21

List of identified carbohydrate fragments:

• C₅H₉O₁
  Fragment probability: 0.55
  Fragment mass: 71.09750000000001
  Fragment main chain atoms: [18, 19, 1]
  Fragment all atoms: [18, 74, 75, 31, 79, 19, 9, 57, 8, 55, 56, 1, 34, 35, 36]
  

• C₆H₁₁O₁
  Fragment probability: 0.54
  Fragment mass: 85.124
  Fragment main chain atoms: [18, 19, 9]
  Fragment all atoms: [18, 74, 75, 31, 79, 19, 1, 34, 35, 36, 9, 57, 8, 55, 56, 10, 58, 59]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 71.09750000000001
  Fragment main chain atoms: [18, 19]
  Fragment all atoms: [18, 74, 75, 31, 79, 19]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [9, 19]
  Fragment all atoms: [9, 57, 8, 55, 56, 10, 58, 59, 19]
  

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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