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

Submission ID: ASV
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:

• C₄H₅N₁O₂
  Fragment probability: 0.50
  Fragment mass: 100.09570000000001
  Fragment main chain atoms: [13, 8, 2, 1]
  Fragment all atoms: [13, 21, 22, 43, 8, 36, 16, 2, 26, 1, 24, 25]
  

• C₃H₃N₁O₂
  Fragment probability: 0.50
  Fragment mass: 100.09570000000001
  Fragment main chain atoms: [13, 8, 2]
  Fragment all atoms: [13, 21, 22, 43, 8, 36, 16, 2, 26]
  

• C₄H₄N₁
  Fragment probability: 0.22
  Fragment mass: 55.0783
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 24, 25, 2, 26, 8, 36, 13, 16]
  

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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