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

Submission ID: MC8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.81
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₅H₄N₂O₂
  Fragment probability: 0.33
  Fragment mass: 151.1226
  Fragment main chain atoms: [7, 10, 27, 18, 16]
  Fragment all atoms: [7, 61, 34, 10, 65, 4, 56, 57, 26, 27, 18, 39, 16]
  

• C₄H₄N₂O₂
  Fragment probability: 0.40
  Fragment mass: 123.1125
  Fragment main chain atoms: [7, 10, 27, 18]
  Fragment all atoms: [7, 61, 34, 10, 65, 4, 56, 57, 26, 27, 18, 39]
  

• C₄H₇O₃
  Fragment probability: 0.81
  Fragment mass: 87.09690000000002
  Fragment main chain atoms: [19, 23, 1]
  Fragment all atoms: [19, 41, 40, 75, 23, 2, 52, 53, 54, 45, 1, 49, 50, 51]
  

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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