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

Submission ID: 3Y8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.44
• Compound probability: 0.14

List of identified carbohydrate fragments:

• C₄H₃O₂
  Fragment probability: 0.44
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [33, 13]
  Fragment all atoms: [33, 56, 57, 121, 13, 96, 14, 97, 41]
  

• C₇H₈O₂
  Fragment probability: 0.43
  Fragment mass: 83.06530000000001
  Fragment main chain atoms: [33, 13, 14]
  Fragment all atoms: [33, 56, 57, 121, 13, 96, 14, 97, 41, 29, 2, 26, 113, 69, 70, 71, 112]
  

• C₆H₇
  Fragment probability: 0.29
  Fragment mass: 83.06530000000001
  Fragment main chain atoms: [13, 14]
  Fragment all atoms: [13, 96, 14, 97, 41, 29, 2, 26, 113, 69, 70, 71, 112]
  

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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