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

Submission ID: TG6
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.75

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 0.99
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [1, 3, 5, 6, 4, 2]
  Fragment all atoms: [1, 17, 18, 7, 24, 3, 8, 5, 22, 10, 26, 6, 23, 11, 27, 4, 21, 9, 25, 2, 19, 20, 15]
  

• C₂H₃O₂
  Fragment probability: 0.97
  Fragment mass: 73.0704
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 17, 18, 7, 24, 3, 8]
  

• C₃H₅O₃
  Fragment probability: 0.98
  Fragment mass: 102.08840000000001
  Fragment main chain atoms: [1, 3, 5]
  Fragment all atoms: [1, 17, 18, 7, 24, 3, 8, 5, 22, 10, 26]
  

• C₆H₁₁O₅
  Fragment probability: 0.88
  Fragment mass: 132.11430000000001
  Fragment main chain atoms: [1, 3, 5, 6]
  Fragment all atoms: [1, 17, 18, 7, 24, 3, 8, 5, 22, 10, 26, 6, 23, 4, 21, 2, 19, 20, 9, 25, 11, 27]
  

• C₆H₁₀O₅
  Fragment probability: 0.83
  Fragment mass: 131.1064
  Fragment main chain atoms: [2, 4, 6, 5]
  Fragment all atoms: [2, 19, 20, 15, 4, 21, 9, 25, 6, 23, 11, 27, 5, 22, 3, 1, 17, 18, 8, 10, 26]
  

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [2, 4, 6]
  Fragment all atoms: [2, 19, 20, 15, 4, 21, 9, 25, 6, 23, 11, 27]
  

• C₆H₁₀O₄
  Fragment probability: 0.75
  Fragment mass: 84.0732
  Fragment main chain atoms: [5, 6]
  Fragment all atoms: [5, 22, 3, 1, 17, 18, 8, 10, 26, 6, 23, 4, 21, 2, 19, 20, 9, 25, 11, 27]
  

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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