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

Submission ID: TS8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₆H₇O₅
  Fragment probability: 1.00
  Fragment mass: 159.1165
  Fragment main chain atoms: [11, 12, 13, 14, 23, 10]
  Fragment all atoms: [11, 40, 20, 12, 41, 21, 13, 42, 22, 14, 43, 23, 10, 39, 5, 37, 38, 19]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 86.089
  Fragment main chain atoms: [5, 19, 6]
  Fragment all atoms: [5, 37, 38, 19, 6, 1, 25, 26, 27, 15]
  

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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