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

Submission ID: LLL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.68

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [11, 5, 10, 14, 12, 15]
  Fragment all atoms: [11, 51, 23, 5, 42, 43, 10, 50, 22, 14, 54, 30, 12, 52, 25, 68, 15, 55, 31]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.1481
  Fragment main chain atoms: [16, 13, 18, 28, 7, 19, 26, 53, 69]
  Fragment all atoms: [16, 56, 24, 13, 18, 58, 31, 28, 7, 46, 47, 19, 1, 32, 33, 34, 27, 70, 26, 53, 69]
  

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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