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

Submission ID: 45T
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₇H₁₃N₁O₂
  Fragment probability: 0.57
  Fragment mass: 143.18310000000002
  Fragment main chain atoms: [1, 25, 6, 8, 26, 2]
  Fragment all atoms: [1, 29, 30, 3, 33, 34, 25, 6, 39, 40, 8, 42, 5, 37, 38, 17, 26, 2, 31, 32, 4, 35, 36]
  

• C₃H₆O₁
  Fragment probability: 0.67
  Fragment mass: 87.09689999999999
  Fragment main chain atoms: [1, 25, 6]
  Fragment all atoms: [1, 29, 30, 3, 33, 34, 25, 6, 39, 40]
  

• C₅H₉N₁O₂
  Fragment probability: 0.59
  Fragment mass: 115.13009999999998
  Fragment main chain atoms: [2, 26, 8, 6]
  Fragment all atoms: [2, 31, 32, 4, 35, 36, 26, 8, 42, 5, 37, 38, 17, 6, 39, 40, 25]
  

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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