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

Submission ID: 7DU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.47
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₁₃H₁₇N₅O₅
  Fragment probability: 0.44
  Fragment mass: 300.31019999999995
  Fragment main chain atoms: [16, 23, 27, 35, 18, 26, 37, 24, 28, 36, 17, 1]
  Fragment all atoms: [16, 70, 71, 41, 87, 23, 74, 30, 27, 44, 35, 18, 73, 2, 49, 50, 51, 26, 43, 37, 24, 75, 4, 54, 55, 3, 52, 53, 28, 45, 36, 17, 72, 25, 42, 34, 1, 46, 47, 48]
  

• C₆H₈N₃O₃
  Fragment probability: 0.47
  Fragment mass: 159.1627
  Fragment main chain atoms: [16, 23, 27, 35, 18, 2]
  Fragment all atoms: [16, 70, 71, 41, 87, 23, 74, 30, 27, 44, 35, 18, 73, 26, 43, 37, 2, 49, 50, 51]
  

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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