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

Submission ID: 3YW
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: [11, 20, 7, 9, 10, 8, 5, 36, 1, 12, 15, 33, 17, 40, 34, 18, 41]
  Fragment all atoms: [11, 35, 19, 20, 7, 31, 3, 26, 27, 14, 38, 9, 10, 8, 32, 5, 36, 1, 21, 22, 23, 12, 15, 33, 17, 40, 34, 18, 41]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 91.0856
  Fragment main chain atoms: [2, 6, 4]
  Fragment all atoms: [2, 24, 25, 13, 37, 6, 30, 16, 39, 4, 28, 29, 19]
  

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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