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

Submission ID: T10
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.62

List of identified carbohydrate fragments:

• C₁₄H₁₃N₂O₅
  Fragment probability: 0.38
  Fragment mass: 241.2201
  Fragment main chain atoms: [18, 25, 23, 28, 26, 24, 29, 27, 34, 19]
  Fragment all atoms: [18, 54, 55, 30, 62, 25, 31, 23, 58, 16, 50, 51, 20, 28, 26, 32, 24, 59, 17, 52, 53, 21, 29, 27, 33, 34, 19, 56, 57, 22, 14, 15, 48, 49]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 71.07770000000001
  Fragment main chain atoms: [18, 25]
  Fragment all atoms: [18, 54, 55, 30, 62, 25, 23, 58, 16, 50, 51, 28, 31]
  

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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