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

Submission ID: E97
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₄H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 116.1611
  Fragment main chain atoms: [21, 5, 19, 41, 1]
  Fragment all atoms: [21, 77, 78, 43, 5, 57, 58, 19, 73, 74, 41, 1, 45, 46, 47]
  

• C₄H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 116.1611
  Fragment main chain atoms: [21, 5, 19, 41, 2]
  Fragment all atoms: [21, 77, 78, 43, 5, 57, 58, 19, 73, 74, 41, 2, 48, 49, 50]
  

• C₄H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 116.1611
  Fragment main chain atoms: [22, 6, 20, 42, 4]
  Fragment all atoms: [22, 79, 80, 44, 6, 59, 60, 20, 75, 76, 42, 4, 54, 55, 56]
  

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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