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

Submission ID: WR2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 20]
  Fragment all atoms: [5, 44, 45, 46, 20]
  

• C₄H₄N₂O₁
  Fragment probability: 0.30
  Fragment mass: 143.2062
  Fragment main chain atoms: [6, 21, 17, 14, 20]
  Fragment all atoms: [6, 47, 48, 49, 21, 17, 28, 14, 59, 24, 20]
  

• C₇H₆N₂O₂
  Fragment probability: 0.31
  Fragment mass: 121.11649999999999
  Fragment main chain atoms: [16, 13, 10, 23, 18]
  Fragment all atoms: [16, 27, 25, 13, 58, 12, 57, 9, 15, 52, 53, 10, 54, 55, 23, 18, 29]
  

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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