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

Submission ID: M1F
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.85

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [4, 24, 12, 9, 7, 10, 38, 19, 48, 17, 36, 46]
  Fragment all atoms: [4, 33, 2, 30, 31, 14, 43, 24, 12, 41, 26, 9, 7, 10, 39, 25, 38, 19, 48, 17, 36, 46]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [5, 6, 8, 11, 23, 3, 15, 34, 44, 16, 35, 45, 37, 18, 47]
  Fragment all atoms: [5, 6, 8, 11, 40, 25, 23, 3, 32, 1, 28, 29, 13, 42, 15, 34, 44, 16, 35, 45, 37, 18, 47]
  

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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