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

Submission ID: 6YK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.60
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₁₀H₁₇N₂O₂
  Fragment probability: 0.48
  Fragment mass: 179.19540000000003
  Fragment main chain atoms: [25, 51, 31, 20, 30, 44, 9]
  Fragment all atoms: [25, 6, 68, 69, 70, 45, 51, 31, 104, 34, 41, 20, 96, 97, 30, 103, 22, 99, 2, 3, 56, 57, 58, 59, 60, 61, 44, 9, 77, 78, 79]
  

• C₅H₈O₂
  Fragment probability: 0.60
  Fragment mass: 87.0969
  Fragment main chain atoms: [36, 24, 5]
  Fragment all atoms: [36, 48, 49, 110, 24, 101, 18, 92, 93, 28, 102, 5, 65, 66, 67]
  

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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