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

Submission ID: RNP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 87.0771
  Fragment main chain atoms: [10, 14, 18]
  Fragment all atoms: [10, 33, 17, 14, 37, 11, 34, 35, 19, 18, 38]
  

• C₆H₁₂N₁O₂
  Fragment probability: 0.62
  Fragment mass: 130.1645
  Fragment main chain atoms: [11, 14, 10, 17, 12, 1]
  Fragment all atoms: [11, 34, 35, 19, 14, 37, 18, 38, 10, 33, 17, 12, 36, 2, 23, 24, 25, 1, 20, 21, 22]
  

• C₃H₇N₁
  Fragment probability: 0.36
  Fragment mass: 57.0941
  Fragment main chain atoms: [1, 12, 2]
  Fragment all atoms: [1, 20, 21, 22, 12, 36, 17, 2, 23, 24, 25]
  

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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