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

Submission ID: CEH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₆H₉N₂O₃
  Fragment probability: 0.54
  Fragment mass: 159.1627
  Fragment main chain atoms: [29, 16, 34, 26, 15, 1]
  Fragment all atoms: [29, 44, 45, 91, 16, 80, 2, 56, 57, 58, 34, 26, 42, 15, 79, 33, 1, 53, 54, 55]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 88.08500000000001
  Fragment main chain atoms: [29, 16, 2]
  Fragment all atoms: [29, 44, 45, 91, 16, 80, 34, 2, 56, 57, 58]
  

• C₆H₉N₁O₃
  Fragment probability: 0.58
  Fragment mass: 130.1216
  Fragment main chain atoms: [30, 21, 35, 17, 3]
  Fragment all atoms: [30, 46, 47, 92, 21, 82, 11, 71, 72, 12, 73, 74, 35, 17, 39, 3, 59, 60, 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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