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

Submission ID: TMD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.86

List of identified carbohydrate fragments:

• C₇H₁₂N₁O₃
  Fragment probability: 0.60
  Fragment mass: 145.15600000000003
  Fragment main chain atoms: [10, 8, 9, 7, 2]
  Fragment all atoms: [10, 13, 14, 35, 8, 31, 11, 9, 32, 12, 34, 7, 30, 6, 28, 29, 5, 26, 27, 2, 18, 19, 20]
  

• C₅H₈N₁O₃
  Fragment probability: 0.64
  Fragment mass: 118.11090000000002
  Fragment main chain atoms: [10, 8, 11, 3]
  Fragment all atoms: [10, 13, 14, 35, 8, 31, 9, 32, 7, 30, 12, 34, 11, 3, 21, 22, 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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