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

Submission ID: 6AW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₈H₁₄N₂O₂
  Fragment probability: 0.50
  Fragment mass: 158.19769999999997
  Fragment main chain atoms: [12, 21, 22, 27, 17, 6, 1]
  Fragment all atoms: [12, 65, 66, 32, 78, 21, 74, 30, 22, 33, 27, 17, 72, 8, 58, 59, 9, 60, 61, 6, 54, 55, 1, 39, 40, 41]
  

• C₅H₇N₃O₃
  Fragment probability: 0.50
  Fragment mass: 172.16150000000002
  Fragment main chain atoms: [12, 21, 30, 24, 31, 5]
  Fragment all atoms: [12, 65, 66, 32, 78, 21, 74, 22, 33, 27, 30, 24, 34, 31, 5, 51, 52, 53]
  

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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