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

Submission ID: 923
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.70
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₅H₁₀O₂
  Fragment probability: 0.70
  Fragment mass: 71.09750000000001
  Fragment main chain atoms: [1, 26, 2]
  Fragment all atoms: [1, 35, 36, 37, 26, 21, 58, 12, 54, 55, 32, 30, 61, 2, 38, 39, 40]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 26]
  Fragment all atoms: [1, 35, 36, 37, 26, 2, 38, 39, 40, 30, 61]
  

• C₅H₁₀O₂
  Fragment probability: 0.70
  Fragment mass: 71.09750000000001
  Fragment main chain atoms: [3, 27, 4]
  Fragment all atoms: [3, 41, 42, 43, 27, 22, 59, 13, 56, 57, 33, 31, 62, 4, 44, 45, 46]
  

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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