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

Submission ID: TN4
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.63

List of identified carbohydrate fragments:

• C₁₀H₁₅O₄
  Fragment probability: 1.00
  Fragment mass: 154.16280000000003
  Fragment main chain atoms: [15, 12, 8, 9, 18, 16]
  Fragment all atoms: [15, 54, 25, 12, 52, 26, 8, 46, 47, 9, 48, 49, 18, 3, 34, 35, 36, 24, 57, 16, 55, 19, 4, 13, 37, 38, 39, 53, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 11]
  Fragment all atoms: [1, 28, 29, 30, 11]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 11]
  Fragment all atoms: [2, 31, 32, 33, 11]
  

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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