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

Submission ID: 7L2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₅H₆N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.1052
  Fragment main chain atoms: [9, 47, 21, 15, 14]
  Fragment all atoms: [9, 72, 5, 67, 68, 45, 47, 21, 78, 34, 15, 76, 49, 14, 75, 48]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [12, 13, 20, 46, 8]
  Fragment all atoms: [12, 73, 35, 85, 13, 74, 36, 86, 20, 77, 33, 46, 8, 71, 4, 65, 66, 44]
  

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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