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

Submission ID: P2F
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₁₂H₁₅N₂O₂
  Fragment probability: 0.37
  Fragment mass: 179.23830000000004
  Fragment main chain atoms: [3, 38, 39, 27, 35, 34, 40, 36]
  Fragment all atoms: [3, 56, 57, 58, 38, 4, 31, 59, 60, 61, 16, 26, 79, 94, 39, 27, 95, 96, 35, 98, 43, 101, 34, 97, 22, 89, 90, 28, 40, 36, 44]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [4, 38]
  Fragment all atoms: [4, 59, 60, 61, 38]
  

• C₇H₇N₂O₂
  Fragment probability: 0.34
  Fragment mass: 179.23830000000004
  Fragment main chain atoms: [36, 40, 34, 35, 27, 39, 38]
  Fragment all atoms: [36, 44, 40, 34, 97, 22, 89, 90, 28, 35, 98, 43, 101, 27, 95, 96, 39, 38]
  

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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