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

Submission ID: 138
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 147.12890000000002
  Fragment main chain atoms: [24, 23, 20, 51, 27]
  Fragment all atoms: [24, 75, 41, 84, 23, 74, 40, 83, 20, 73, 12, 68, 69, 50, 51, 27, 76, 35]
  

• C₅H₇N₁O₄
  Fragment probability: 0.68
  Fragment mass: 146.121
  Fragment main chain atoms: [22, 8, 7, 19, 28]
  Fragment all atoms: [22, 38, 39, 82, 8, 61, 62, 7, 59, 60, 19, 72, 33, 28, 44, 45, 86]
  

• C₅H₆N₁O₃
  Fragment probability: 0.55
  Fragment mass: 111.0985
  Fragment main chain atoms: [28, 19, 33, 25]
  Fragment all atoms: [28, 44, 45, 86, 19, 72, 7, 59, 60, 8, 61, 62, 33, 25, 42]
  

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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