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

Submission ID: ISX
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:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [11, 10, 9, 7, 21, 12, 19, 36, 44, 18, 35, 43, 17, 34, 42]
  Fragment all atoms: [11, 10, 9, 7, 32, 4, 28, 29, 15, 40, 21, 12, 37, 20, 19, 36, 44, 18, 35, 43, 17, 34, 42]
  

• C₆H₁₁N₁O₃
  Fragment probability: 1.00
  Fragment mass: 146.1639
  Fragment main chain atoms: [5, 8, 6, 2, 13, 1]
  Fragment all atoms: [5, 30, 3, 26, 27, 14, 39, 8, 33, 16, 41, 6, 31, 20, 2, 24, 25, 13, 1, 22, 23]
  

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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