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

Submission ID: ASS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.15

List of identified carbohydrate fragments:

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 55.0783
  Fragment main chain atoms: [1, 4]
  Fragment all atoms: [1, 34, 35, 36, 4, 43]
  

• C₄H₈N₁
  Fragment probability: 0.44
  Fragment mass: 98.14590000000003
  Fragment main chain atoms: [2, 30, 16, 4]
  Fragment all atoms: [2, 37, 38, 39, 30, 16, 59, 4, 43, 1, 34, 35, 36]
  

• C₂H₄N₁
  Fragment probability: 0.40
  Fragment mass: 83.11150000000002
  Fragment main chain atoms: [2, 30, 16]
  Fragment all atoms: [2, 37, 38, 39, 30, 16, 59]
  

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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