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

Submission ID: XDP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₅H₁₀O₆
  Fragment probability: 0.98
  Fragment mass: 166.12890000000002
  Fragment main chain atoms: [1, 3, 4, 5, 2]
  Fragment all atoms: [1, 20, 21, 16, 3, 24, 6, 26, 4, 25, 7, 27, 5, 8, 9, 28, 29, 2, 22, 23, 17]
  

• C₅H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 119.09570000000001
  Fragment main chain atoms: [1, 3, 4]
  Fragment all atoms: [1, 20, 21, 16, 3, 24, 6, 26, 4, 25, 5, 2, 22, 23, 8, 9, 28, 29, 7, 27]
  

• C₃H₆O₄
  Fragment probability: 0.97
  Fragment mass: 119.09570000000002
  Fragment main chain atoms: [2, 5, 4]
  Fragment all atoms: [2, 22, 23, 17, 5, 8, 9, 28, 29, 4, 25, 7, 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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