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

Submission ID: DO8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.80

List of identified carbohydrate fragments:

• C₈H₁₃O₇
  Fragment probability: 1.00
  Fragment mass: 190.15030000000007
  Fragment main chain atoms: [3, 5, 6, 19, 8, 1, 9, 25, 29, 11, 27, 31]
  Fragment all atoms: [3, 5, 6, 28, 4, 26, 2, 23, 24, 10, 30, 19, 8, 7, 12, 13, 32, 14, 33, 1, 21, 22, 9, 25, 29, 11, 27, 31]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 72.0625
  Fragment main chain atoms: [2, 4]
  Fragment all atoms: [2, 23, 24, 18, 4, 26, 10, 30]
  

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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