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

Submission ID: MYG
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:

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [22, 12, 3, 5, 4, 2, 16, 29, 41, 15, 28, 40]
  Fragment all atoms: [22, 12, 36, 23, 3, 27, 13, 5, 4, 2, 26, 1, 24, 25, 14, 39, 16, 29, 41, 15, 28, 40]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [9, 7, 6, 8, 10, 11]
  Fragment all atoms: [9, 33, 20, 45, 7, 31, 18, 43, 6, 30, 17, 42, 8, 32, 19, 44, 10, 34, 21, 46, 11, 35, 23]
  

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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