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

Submission ID: 743
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.30
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₁₁H₁₂N₁O₁
  Fragment probability: 0.30
  Fragment mass: 124.16000000000001
  Fragment main chain atoms: [16, 32, 29, 22, 5, 4, 1]
  Fragment all atoms: [16, 56, 57, 17, 6, 7, 46, 47, 32, 29, 22, 24, 59, 23, 25, 5, 44, 45, 4, 42, 43, 1, 33, 34, 35]
  

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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