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

Submission ID: M5S
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: [14, 24, 22, 26, 50, 9, 37, 75, 98, 45, 83, 106, 47, 87, 108]
  Fragment all atoms: [14, 24, 85, 55, 22, 26, 50, 9, 70, 4, 63, 64, 49, 37, 75, 98, 45, 83, 106, 47, 87, 108]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [20, 17, 12, 7, 52, 29, 81, 43, 104, 40, 78, 101, 35, 73, 96]
  Fragment all atoms: [20, 17, 12, 7, 68, 2, 59, 60, 32, 93, 52, 29, 90, 55, 81, 43, 104, 40, 78, 101, 35, 73, 96]
  

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [15, 25, 23, 28, 54, 10, 38, 76, 99, 46, 84, 107]
  Fragment all atoms: [15, 25, 86, 56, 23, 28, 89, 49, 54, 10, 71, 5, 65, 66, 48, 38, 76, 99, 46, 84, 107]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [21, 18, 13, 8, 53, 30, 44, 82, 105, 41, 79, 102, 36, 74, 97]
  Fragment all atoms: [21, 18, 13, 8, 69, 3, 61, 62, 33, 94, 53, 30, 91, 56, 44, 82, 105, 41, 79, 102, 36, 74, 97]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [11, 16, 19, 27, 51, 6, 34, 72, 95, 39, 77, 100, 42, 80, 103]
  Fragment all atoms: [11, 16, 19, 27, 88, 48, 51, 6, 67, 1, 57, 58, 31, 92, 34, 72, 95, 39, 77, 100, 42, 80, 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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