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

Submission ID: 30X
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 128.152
  Fragment main chain atoms: [1, 9, 13, 23, 3]
  Fragment all atoms: [1, 26, 27, 28, 9, 40, 24, 13, 25, 23, 3, 32, 33, 34]
  

• C₆H₉N₂O₁
  Fragment probability: 0.39
  Fragment mass: 180.20660000000004
  Fragment main chain atoms: [2, 23, 13, 9, 24, 8, 14]
  Fragment all atoms: [2, 29, 30, 31, 23, 13, 25, 9, 40, 1, 26, 27, 28, 24, 8, 38, 39, 14]
  

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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