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

Submission ID: RVC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₆H₇O₃
  Fragment probability: 0.54
  Fragment mass: 127.07479999999998
  Fragment main chain atoms: [6, 10, 19]
  Fragment all atoms: [6, 27, 7, 28, 4, 5, 23, 24, 25, 26, 10, 13, 17, 18, 31, 19]
  

• C₄H₃O₃
  Fragment probability: 0.56
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [13, 10]
  Fragment all atoms: [13, 17, 18, 31, 10, 6, 27, 7, 28, 19]
  

• C₅H₆O₁
  Fragment probability: 0.40
  Fragment mass: 83.0653
  Fragment main chain atoms: [6, 10]
  Fragment all atoms: [6, 27, 7, 28, 4, 5, 23, 24, 25, 26, 10, 19]
  

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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