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

Submission ID: KDO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₃O₇
  Fragment probability: 1.00
  Fragment mass: 190.15030000000007
  Fragment main chain atoms: [3, 5, 6, 16, 8, 1, 10, 21, 26, 12, 23, 28]
  Fragment all atoms: [3, 5, 6, 24, 4, 22, 2, 19, 20, 11, 27, 16, 8, 7, 13, 14, 29, 15, 30, 1, 17, 18, 10, 21, 26, 12, 23, 28]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 73.07039999999999
  Fragment main chain atoms: [2, 4]
  Fragment all atoms: [2, 19, 20, 9, 25, 4, 22, 11, 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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