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

Submission ID: XFA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₈H₁₄N₄O₂
  Fragment probability: 0.45
  Fragment mass: 240.2617
  Fragment main chain atoms: [1, 31, 13, 14, 32, 27, 18, 34, 19, 28, 33, 2]
  Fragment all atoms: [1, 39, 40, 41, 31, 13, 55, 56, 14, 57, 58, 32, 27, 36, 18, 64, 65, 34, 19, 66, 67, 28, 37, 33, 2, 42, 43, 44]
  

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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