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

Submission ID: 1RN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [9, 8, 6, 25, 11]
  Fragment all atoms: [9, 36, 19, 41, 8, 35, 18, 40, 6, 34, 4, 32, 33, 24, 25, 11, 37, 15]
  

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 98.07990000000001
  Fragment main chain atoms: [7, 2, 13, 1]
  Fragment all atoms: [7, 16, 17, 39, 2, 29, 30, 13, 1, 28]
  

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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