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

Submission ID: 8WQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₇H₇N₁O₄
  Fragment probability: 1.00
  Fragment mass: 158.13170000000002
  Fragment main chain atoms: [2, 3, 4, 8, 1]
  Fragment all atoms: [2, 17, 9, 21, 3, 18, 5, 7, 10, 4, 19, 6, 11, 12, 22, 8, 1, 15, 16]
  

• C₅H₄O₃
  Fragment probability: 0.50
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [7, 5]
  Fragment all atoms: [7, 13, 14, 23, 5, 3, 18, 2, 4, 17, 19, 10]
  

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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