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

Submission ID: MUD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.68
• Compound probability: 0.90

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 0.68
  Fragment mass: 146.121
  Fragment main chain atoms: [7, 3, 2, 5, 8]
  Fragment all atoms: [7, 13, 14, 34, 3, 26, 27, 2, 24, 25, 5, 30, 11, 8, 16, 15, 35]
  

• C₈H₁₀N₂O₅
  Fragment probability: 0.56
  Fragment mass: 202.16430000000003
  Fragment main chain atoms: [8, 5, 11, 10, 12, 6, 9]
  Fragment all atoms: [8, 16, 15, 35, 5, 30, 2, 24, 25, 3, 26, 27, 11, 10, 19, 12, 6, 31, 4, 28, 29, 9, 17, 18, 36]
  

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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