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

Submission ID: NIW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₃H₄O₃
  Fragment probability: 0.97
  Fragment mass: 84.0732
  Fragment main chain atoms: [9, 10, 29, 20]
  Fragment all atoms: [9, 49, 50, 28, 10, 51, 52, 29, 20, 24]
  

• C₄H₇O₂
  Fragment probability: 0.69
  Fragment mass: 83.10820000000001
  Fragment main chain atoms: [21, 30, 12, 1]
  Fragment all atoms: [21, 25, 30, 12, 54, 2, 34, 35, 36, 1, 31, 32, 33]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 59.0868
  Fragment main chain atoms: [1, 12, 2]
  Fragment all atoms: [1, 31, 32, 33, 12, 54, 30, 2, 34, 35, 36]
  

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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