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

Submission ID: 55N
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₈O₄
  Fragment probability: 0.67
  Fragment mass: 115.107
  Fragment main chain atoms: [7, 15, 9, 10]
  Fragment all atoms: [7, 3, 22, 23, 24, 12, 15, 9, 32, 5, 28, 29, 8, 31, 10, 13, 14, 34]
  

• C₁₀H₁₈N₁O₄
  Fragment probability: 0.62
  Fragment mass: 171.19320000000002
  Fragment main chain atoms: [7, 15, 9, 5, 8, 11, 4]
  Fragment all atoms: [7, 3, 22, 23, 24, 12, 15, 9, 32, 10, 13, 14, 34, 5, 28, 29, 8, 31, 6, 30, 1, 2, 16, 17, 18, 19, 20, 21, 11, 4, 25, 26, 27]
  

• C₈H₁₅N₁O₃
  Fragment probability: 0.62
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [10, 9, 5, 8, 11, 4]
  Fragment all atoms: [10, 13, 14, 34, 9, 32, 15, 5, 28, 29, 8, 31, 6, 30, 1, 2, 16, 17, 18, 19, 20, 21, 11, 4, 25, 26, 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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