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

Submission ID: ZAF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.54
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₁₄H₁₆N₂O₆
  Fragment probability: 0.47
  Fragment mass: 336.23439999999994
  Fragment main chain atoms: [14, 31, 22, 23, 15, 20, 24, 16, 33, 32, 19, 21]
  Fragment all atoms: [14, 52, 53, 18, 11, 12, 48, 49, 31, 22, 28, 23, 15, 54, 1, 34, 35, 36, 20, 25, 24, 16, 55, 2, 37, 38, 39, 33, 32, 19, 56, 13, 50, 51, 17, 21, 26, 27, 59]
  

• C₉H₁₂N₂O₄
  Fragment probability: 0.50
  Fragment mass: 266.18770000000006
  Fragment main chain atoms: [21, 19, 32, 33, 16, 24, 20, 15, 1]
  Fragment all atoms: [21, 26, 27, 59, 19, 56, 13, 50, 51, 17, 32, 33, 16, 55, 2, 37, 38, 39, 24, 20, 25, 15, 54, 23, 1, 34, 35, 36]
  

• C₆H₈N₁O₃
  Fragment probability: 0.54
  Fragment mass: 195.11000000000004
  Fragment main chain atoms: [21, 19, 32, 33, 16, 2]
  Fragment all atoms: [21, 26, 27, 59, 19, 56, 13, 50, 51, 17, 32, 33, 16, 55, 24, 2, 37, 38, 39]
  

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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