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

Submission ID: UMG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.78

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [23, 27, 26, 19, 51, 33, 13, 93, 2, 41, 35, 46, 85, 100, 45, 84, 99]
  Fragment all atoms: [23, 81, 27, 26, 19, 78, 9, 72, 73, 38, 96, 51, 33, 91, 54, 13, 93, 2, 59, 60, 61, 41, 35, 46, 85, 100, 45, 84, 99]
  

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [25, 29, 31, 21, 53, 34, 15, 95, 4, 43, 37, 48, 87, 102]
  Fragment all atoms: [25, 83, 29, 31, 89, 54, 21, 80, 11, 76, 77, 40, 98, 53, 34, 92, 55, 15, 95, 4, 65, 66, 67, 43, 37, 48, 87, 102]
  

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [24, 28, 30, 20, 52, 32, 14, 94, 3, 42, 36, 47, 86, 101]
  Fragment all atoms: [24, 82, 28, 30, 88, 55, 20, 79, 10, 74, 75, 39, 97, 52, 32, 90, 49, 14, 94, 3, 62, 63, 64, 42, 36, 47, 86, 101]
  

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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