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

Submission ID: M7B
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.78

List of identified carbohydrate fragments:

• C₇H₁₃O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [4, 3, 5, 7, 17, 6, 10, 23, 29, 9, 22, 28, 24, 11, 30, 26, 12, 31]
  Fragment all atoms: [4, 3, 5, 7, 17, 6, 25, 2, 21, 1, 19, 20, 8, 27, 10, 23, 29, 9, 22, 28, 24, 11, 30, 26, 12, 31]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 72.0625
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 19, 20, 16, 2, 21, 8, 27]
  

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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