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

Submission ID: BCM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₅H₉O₃
  Fragment probability: 0.75
  Fragment mass: 88.10480000000001
  Fragment main chain atoms: [5, 10, 2]
  Fragment all atoms: [5, 31, 32, 15, 36, 10, 7, 33, 12, 16, 37, 19, 38, 2, 24, 25, 26]
  

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 71.09750000000001
  Fragment main chain atoms: [5, 10]
  Fragment all atoms: [5, 31, 32, 15, 36, 10, 2, 24, 25, 26, 19, 38]
  

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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