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

Submission ID: 9PT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [27, 29, 23, 20, 49, 32, 46, 81, 96, 42, 77, 92]
  Fragment all atoms: [27, 29, 83, 51, 23, 20, 74, 14, 70, 71, 39, 89, 49, 32, 86, 50, 46, 81, 96, 42, 77, 92]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [25, 24, 21, 18, 48, 31, 79, 44, 94, 78, 43, 93, 40, 75, 90]
  Fragment all atoms: [25, 24, 21, 18, 72, 12, 66, 67, 37, 87, 48, 31, 85, 51, 79, 44, 94, 78, 43, 93, 40, 75, 90]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 176.14690000000004
  Fragment main chain atoms: [26, 28, 22, 19, 47, 30, 45, 80, 95, 76, 41, 91]
  Fragment all atoms: [26, 28, 82, 50, 22, 19, 73, 13, 68, 69, 38, 88, 47, 30, 84, 36, 45, 80, 95, 76, 41, 91]
  

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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