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

Submission ID: C2T
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.60
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₁₀N₂O₂
  Fragment probability: 0.58
  Fragment mass: 175.22809999999996
  Fragment main chain atoms: [7, 5, 6, 8, 9, 4, 1]
  Fragment all atoms: [7, 10, 11, 28, 5, 23, 24, 6, 25, 26, 8, 9, 4, 21, 22, 1, 12, 13, 14]
  

• C₄H₈N₂O₂
  Fragment probability: 0.60
  Fragment mass: 160.1937
  Fragment main chain atoms: [7, 5, 6, 8, 9, 3]
  Fragment all atoms: [7, 10, 11, 28, 5, 23, 24, 6, 25, 26, 8, 9, 3, 18, 19, 20]
  

• C₃H₈N₁
  Fragment probability: 0.29
  Fragment mass: 87.1431
  Fragment main chain atoms: [1, 4, 9, 2]
  Fragment all atoms: [1, 12, 13, 14, 4, 21, 22, 9, 2, 15, 16, 17]
  

• C₃H₈N₁
  Fragment probability: 0.29
  Fragment mass: 87.1431
  Fragment main chain atoms: [1, 4, 9, 3]
  Fragment all atoms: [1, 12, 13, 14, 4, 21, 22, 9, 3, 18, 19, 20]
  

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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