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

Submission ID: 38J
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:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [6, 32, 18, 13, 10, 15, 28, 50, 65, 47, 25, 62]
  Fragment all atoms: [6, 43, 3, 39, 40, 21, 58, 32, 18, 55, 33, 13, 10, 15, 52, 34, 28, 50, 65, 47, 25, 62]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [5, 30, 16, 11, 9, 14, 53, 29, 66, 26, 48, 63, 46, 24, 61]
  Fragment all atoms: [5, 42, 2, 37, 38, 20, 57, 30, 16, 11, 9, 14, 51, 33, 53, 29, 66, 26, 48, 63, 46, 24, 61]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [7, 8, 12, 17, 31, 4, 22, 44, 59, 23, 45, 60, 49, 27, 64]
  Fragment all atoms: [7, 8, 12, 17, 54, 34, 31, 4, 41, 1, 35, 36, 19, 56, 22, 44, 59, 23, 45, 60, 49, 27, 64]
  

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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