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

Submission ID: L42
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.87

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [11, 10, 7, 26, 13, 8, 4, 45, 1, 17, 15, 43, 22, 50]
  Fragment all atoms: [11, 42, 28, 10, 41, 29, 7, 38, 3, 35, 36, 16, 46, 26, 13, 8, 39, 4, 45, 1, 31, 32, 33, 17, 15, 43, 22, 50]
  

• C₆H₇O₆
  Fragment probability: 1.00
  Fragment mass: 175.11590000000004
  Fragment main chain atoms: [9, 5, 2, 6, 27, 14, 19, 40, 48, 18, 37, 47]
  Fragment all atoms: [9, 5, 2, 34, 6, 12, 20, 21, 49, 27, 14, 44, 28, 19, 40, 48, 18, 37, 47]
  

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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