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

Submission ID: YI4
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₂H₄O₁
  Fragment probability: 0.75
  Fragment mass: 56.0631
  Fragment main chain atoms: [18, 15]
  Fragment all atoms: [18, 70, 71, 32, 82, 15, 65]
  

• C₅H₁₁O₁
  Fragment probability: 0.55
  Fragment mass: 56.105999999999995
  Fragment main chain atoms: [3, 30, 4]
  Fragment all atoms: [3, 41, 42, 43, 30, 16, 66, 67, 7, 51, 52, 35, 85, 4, 44, 45, 46]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 6]
  Fragment all atoms: [1, 36, 37, 6, 50, 8, 53, 54, 23, 77]
  

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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