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

Submission ID: 6HB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.56

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [3, 9, 10, 26, 11]
  Fragment all atoms: [3, 31, 32, 9, 40, 21, 45, 10, 41, 5, 35, 36, 25, 26, 11, 42, 19]
  

• C₄H₇N₁O₁
  Fragment probability: 0.50
  Fragment mass: 86.1121
  Fragment main chain atoms: [2, 8, 20]
  Fragment all atoms: [2, 30, 1, 28, 29, 8, 39, 4, 33, 34, 15, 20, 44]
  

• C₄H₇O₁
  Fragment probability: 0.56
  Fragment mass: 57.071
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 28, 29, 2, 30, 8, 39, 4, 33, 34, 20, 44]
  

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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