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

Submission ID: 0PP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₅H₆N₂O₃
  Fragment probability: 0.50
  Fragment mass: 139.1317
  Fragment main chain atoms: [3, 23, 33, 42, 35]
  Fragment all atoms: [3, 55, 56, 57, 23, 88, 43, 98, 33, 93, 36, 48, 41, 42, 35, 47]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [4, 37]
  Fragment all atoms: [4, 58, 59, 60, 37]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 37]
  Fragment all atoms: [5, 61, 62, 63, 37]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [6, 37]
  Fragment all atoms: [6, 64, 65, 66, 37]
  

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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