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

Submission ID: 8LL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.70
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₇H₁₄N₁O₂
  Fragment probability: 0.60
  Fragment mass: 131.17239999999998
  Fragment main chain atoms: [15, 27, 17, 18, 28, 16]
  Fragment all atoms: [15, 55, 56, 7, 45, 46, 6, 43, 44, 27, 17, 59, 60, 18, 61, 62, 28, 16, 57, 58, 14, 53, 54, 23]
  

• C₅H₁₀O₂
  Fragment probability: 0.70
  Fragment mass: 88.10479999999998
  Fragment main chain atoms: [15, 27, 17]
  Fragment all atoms: [15, 55, 56, 7, 45, 46, 6, 43, 44, 27, 17, 59, 60, 18, 61, 62, 28]
  

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 103.11939999999998
  Fragment main chain atoms: [16, 28, 18, 17]
  Fragment all atoms: [16, 57, 58, 14, 53, 54, 23, 28, 18, 61, 62, 17, 59, 60, 27]
  

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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