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

Submission ID: LA5
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: [13, 8, 51, 29, 19, 23, 74, 38, 99, 44, 80, 105]
  Fragment all atoms: [13, 8, 69, 3, 61, 62, 33, 94, 51, 29, 90, 56, 19, 23, 84, 54, 74, 38, 99, 44, 80, 105]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [15, 10, 52, 30, 21, 25, 76, 40, 101, 46, 82, 107]
  Fragment all atoms: [15, 10, 71, 5, 65, 66, 35, 96, 52, 30, 91, 55, 21, 25, 86, 56, 76, 40, 101, 46, 82, 107]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [12, 7, 48, 26, 18, 22, 73, 37, 98, 47, 87, 108, 79, 43, 104]
  Fragment all atoms: [12, 7, 68, 2, 59, 60, 32, 93, 48, 26, 18, 22, 83, 53, 73, 37, 98, 47, 87, 108, 79, 43, 104]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [14, 9, 50, 28, 20, 24, 75, 39, 100, 81, 45, 106]
  Fragment all atoms: [14, 9, 70, 4, 63, 64, 34, 95, 50, 28, 89, 53, 20, 24, 85, 55, 75, 39, 100, 81, 45, 106]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [11, 16, 17, 27, 49, 6, 36, 72, 97, 41, 77, 102, 42, 78, 103]
  Fragment all atoms: [11, 16, 17, 27, 88, 54, 49, 6, 67, 1, 57, 58, 31, 92, 36, 72, 97, 41, 77, 102, 42, 78, 103]
  

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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