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

Submission ID: LYF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₇H₁₀N₁O₅
  Fragment probability: 0.67
  Fragment mass: 188.1576
  Fragment main chain atoms: [11, 5, 4, 8, 7, 10, 13]
  Fragment all atoms: [11, 17, 18, 42, 5, 31, 32, 4, 29, 30, 8, 37, 16, 41, 7, 35, 36, 10, 15, 13, 21, 22, 44]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [13, 10]
  Fragment all atoms: [13, 21, 22, 44, 10]
  

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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