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

Submission ID: MCZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₈H₁₁O₁
  Fragment probability: 0.41
  Fragment mass: 85.12400000000001
  Fragment main chain atoms: [14, 30, 18, 2]
  Fragment all atoms: [14, 59, 60, 13, 57, 58, 25, 30, 18, 65, 22, 67, 10, 26, 51, 52, 2, 33, 34, 35]
  

• C₅H₁₁O₂
  Fragment probability: 0.65
  Fragment mass: 86.13190000000002
  Fragment main chain atoms: [14, 13, 25, 3]
  Fragment all atoms: [14, 59, 60, 30, 13, 57, 58, 25, 4, 39, 40, 41, 29, 72, 3, 36, 37, 38]
  

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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