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

Submission ID: M66
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.25

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 39]
  Fragment all atoms: [5, 64, 65, 66, 39]
  

• C₃H₅N₁
  Fragment probability: 0.36
  Fragment mass: 56.0862
  Fragment main chain atoms: [2, 9]
  Fragment all atoms: [2, 56, 57, 9, 75, 18, 88, 89, 41]
  

• C₆H₆N₂O₂
  Fragment probability: 0.36
  Fragment mass: 124.14020000000001
  Fragment main chain atoms: [9, 18, 41, 36, 34]
  Fragment all atoms: [9, 75, 18, 88, 89, 41, 36, 50, 34, 28, 102, 14, 82, 83, 42, 48]
  

• C₃H₃N₁O₁
  Fragment probability: 0.36
  Fragment mass: 96.107
  Fragment main chain atoms: [9, 18, 41, 36]
  Fragment all atoms: [9, 75, 18, 88, 89, 41, 36, 50]
  

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 68.054
  Fragment main chain atoms: [34, 36]
  Fragment all atoms: [34, 28, 102, 14, 82, 83, 42, 48, 36, 50, 41]
  

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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