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

Submission ID: RX8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 99.11089999999999
  Fragment main chain atoms: [4, 23, 9]
  Fragment all atoms: [4, 33, 34, 1, 24, 25, 26, 23, 9, 39, 40, 13, 21, 20]
  

• C₄H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 70.1127
  Fragment main chain atoms: [2, 17, 3]
  Fragment all atoms: [2, 27, 28, 29, 17, 10, 41, 42, 21, 22, 45, 3, 30, 31, 32]
  

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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