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

Submission ID: PTG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.48

List of identified carbohydrate fragments:

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [6, 10]
  Fragment all atoms: [6, 35, 5, 33, 34, 4, 31, 32, 10, 40]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [7, 9]
  Fragment all atoms: [7, 36, 8, 37, 38, 11, 41, 42, 9, 39, 12, 43, 44, 17, 50]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 51.0665
  Fragment main chain atoms: [10, 13]
  Fragment all atoms: [10, 40, 6, 35, 5, 33, 34, 13, 45]
  

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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