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

Submission ID: 3QL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [16, 26, 7, 11, 12, 9, 5, 49, 1, 17, 20, 43, 22, 52, 44, 23, 53]
  Fragment all atoms: [16, 48, 28, 26, 7, 39, 3, 35, 36, 19, 51, 11, 12, 9, 41, 5, 49, 1, 29, 30, 31, 17, 20, 43, 22, 52, 44, 23, 53]
  

• C₈H₁₂N₁O₅
  Fragment probability: 1.00
  Fragment mass: 218.18350000000004
  Fragment main chain atoms: [8, 27, 15, 10, 13, 14, 6, 50, 2, 21, 18, 24, 45, 54]
  Fragment all atoms: [8, 40, 4, 37, 38, 25, 27, 15, 47, 10, 42, 13, 14, 46, 28, 6, 50, 2, 32, 33, 34, 21, 18, 24, 45, 54]
  

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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