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

Submission ID: 8R6
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.87
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₄H₆N₁O₄
  Fragment probability: 0.87
  Fragment mass: 159.11980000000003
  Fragment main chain atoms: [19, 10, 27, 11, 20]
  Fragment all atoms: [19, 30, 29, 59, 10, 53, 54, 27, 11, 55, 56, 20, 31, 32, 60]
  

• C₆H₉N₁O₄
  Fragment probability: 0.65
  Fragment mass: 173.14630000000005
  Fragment main chain atoms: [19, 10, 27, 16, 21]
  Fragment all atoms: [19, 30, 29, 59, 10, 53, 54, 27, 16, 57, 4, 44, 45, 2, 40, 41, 21, 34, 33, 61]
  

• C₆H₉N₁O₄
  Fragment probability: 0.65
  Fragment mass: 173.14630000000005
  Fragment main chain atoms: [20, 11, 27, 16, 21]
  Fragment all atoms: [20, 31, 32, 60, 11, 55, 56, 27, 16, 57, 4, 44, 45, 2, 40, 41, 21, 34, 33, 61]
  

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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