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

Submission ID: 3FC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [4, 25]
  Fragment all atoms: [4, 51, 52, 53, 25]
  

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 68.054
  Fragment main chain atoms: [20, 21]
  Fragment all atoms: [20, 17, 70, 7, 58, 59, 30, 35, 21, 36, 33]
  

• C₉H₈N₁O₃
  Fragment probability: 0.37
  Fragment mass: 210.249
  Fragment main chain atoms: [20, 17, 30, 23, 40, 18, 25]
  Fragment all atoms: [20, 35, 17, 70, 7, 58, 59, 6, 56, 57, 30, 23, 37, 40, 18, 71, 14, 68, 69, 19, 25]
  

• C₁₀H₈N₂O₄
  Fragment probability: 0.36
  Fragment mass: 226.24839999999998
  Fragment main chain atoms: [21, 20, 17, 30, 23, 40, 18, 25]
  Fragment all atoms: [21, 36, 33, 20, 35, 17, 70, 7, 58, 59, 6, 56, 57, 30, 23, 37, 40, 18, 71, 14, 68, 69, 19, 25]
  

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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