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

Submission ID: TTZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 143.1402
  Fragment main chain atoms: [7, 10, 13, 9, 8]
  Fragment all atoms: [7, 34, 21, 45, 10, 37, 22, 46, 13, 2, 28, 29, 17, 41, 23, 47, 9, 36, 14, 8, 35]
  

• C₆H₁₁N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [4, 5, 6, 11, 24, 3, 18, 31, 42, 19, 32, 43, 20, 33, 44]
  Fragment all atoms: [4, 5, 6, 11, 38, 15, 24, 3, 30, 1, 26, 27, 16, 40, 18, 31, 42, 19, 32, 43, 20, 33, 44]
  

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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