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

Submission ID: 96P
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.95
• Compound probability: 0.24

List of identified carbohydrate fragments:

• C₂H₂O₂
  Fragment probability: 0.95
  Fragment mass: 83.0653
  Fragment main chain atoms: [10, 39, 22]
  Fragment all atoms: [10, 52, 53, 39, 22, 36]
  

• C₄H₅N₁O₃
  Fragment probability: 0.61
  Fragment mass: 112.1064
  Fragment main chain atoms: [10, 15, 40, 23]
  Fragment all atoms: [10, 52, 53, 39, 15, 54, 9, 50, 51, 29, 40, 23, 37]
  

• C₅H₅N₁O₄
  Fragment probability: 0.59
  Fragment mass: 136.12779999999998
  Fragment main chain atoms: [22, 39, 10, 15, 40, 23]
  Fragment all atoms: [22, 36, 39, 10, 52, 53, 15, 54, 9, 50, 51, 29, 40, 23, 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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