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

Submission ID: U20
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.19140000000004
  Fragment main chain atoms: [24, 30, 50, 20, 26, 28, 18, 100, 2, 32, 36, 41, 95, 105]
  Fragment all atoms: [24, 93, 30, 99, 52, 50, 20, 91, 16, 86, 87, 35, 102, 26, 28, 97, 51, 18, 100, 2, 59, 60, 61, 32, 36, 41, 95, 105]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [25, 27, 29, 49, 21]
  Fragment all atoms: [25, 94, 40, 104, 27, 96, 42, 106, 29, 98, 34, 49, 21, 92, 17, 88, 89, 48]
  

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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