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

Submission ID: MQD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.70
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₄O₃
  Fragment probability: 0.67
  Fragment mass: 117.1657
  Fragment main chain atoms: [4, 6, 3, 5, 1]
  Fragment all atoms: [4, 18, 19, 7, 21, 6, 2, 13, 14, 15, 9, 23, 3, 16, 17, 5, 20, 8, 22, 1, 10, 11, 12]
  

• C₅H₁₀O₂
  Fragment probability: 0.70
  Fragment mass: 72.1054
  Fragment main chain atoms: [4, 6, 2]
  Fragment all atoms: [4, 18, 19, 7, 21, 6, 3, 16, 17, 5, 20, 9, 23, 2, 13, 14, 15]
  

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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