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

Submission ID: 2IT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₆N₁O₄
  Fragment probability: 0.64
  Fragment mass: 145.1131
  Fragment main chain atoms: [4, 2, 1, 3, 5]
  Fragment all atoms: [4, 7, 8, 16, 2, 13, 14, 1, 11, 12, 3, 6, 5, 9, 10, 17]
  

• C₄H₅O₂
  Fragment probability: 0.56
  Fragment mass: 130.0985
  Fragment main chain atoms: [4, 2, 1, 3]
  Fragment all atoms: [4, 7, 8, 16, 2, 13, 14, 1, 11, 12, 3]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [5, 3]
  Fragment all atoms: [5, 9, 10, 17, 3]
  

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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