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

Submission ID: GQ4
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:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [45, 22, 17, 12, 9, 5, 34, 70, 87, 29, 65, 82, 26, 62, 79]
  Fragment all atoms: [45, 22, 75, 41, 17, 12, 9, 5, 58, 1, 50, 51, 25, 78, 34, 70, 87, 29, 65, 82, 26, 62, 79]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [46, 23, 18, 13, 10, 6, 35, 71, 88, 30, 66, 83, 27, 63, 80]
  Fragment all atoms: [46, 23, 76, 42, 18, 13, 10, 6, 59, 2, 52, 53, 41, 35, 71, 88, 30, 66, 83, 27, 63, 80]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [47, 24, 19, 14, 11, 7, 36, 72, 89, 31, 67, 84, 28, 64, 81]
  Fragment all atoms: [47, 24, 77, 43, 19, 14, 11, 7, 60, 3, 54, 55, 42, 36, 72, 89, 31, 67, 84, 28, 64, 81]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [44, 21, 16, 15, 20, 8, 37, 74, 90, 33, 69, 86, 32, 68, 85]
  Fragment all atoms: [44, 21, 16, 15, 20, 73, 48, 8, 61, 4, 56, 57, 43, 37, 74, 90, 33, 69, 86, 32, 68, 85]
  

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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