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

Submission ID: TG1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.48

List of identified carbohydrate fragments:

• C₁₀H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 137.11260000000001
  Fragment main chain atoms: [45, 31, 33, 34, 29]
  Fragment all atoms: [45, 31, 39, 33, 8, 68, 69, 70, 40, 95, 34, 22, 90, 18, 88, 89, 42, 41, 96, 29, 94, 25, 20, 26, 91]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [30, 19, 4]
  Fragment all atoms: [30, 38, 44, 19, 11, 75, 3, 53, 54, 55, 4, 56, 57, 58]
  

• C₂O₂
  Fragment probability: 0.90
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [30, 19]
  Fragment all atoms: [30, 38, 44, 19]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 40.0637
  Fragment main chain atoms: [3, 11]
  Fragment all atoms: [3, 53, 54, 55, 11, 75]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 84.07319999999999
  Fragment main chain atoms: [4, 19]
  Fragment all atoms: [4, 56, 57, 58, 19]
  

• C₃H₄
  Fragment probability: 0.33
  Fragment mass: 99.10759999999999
  Fragment main chain atoms: [11, 19]
  Fragment all atoms: [11, 75, 3, 53, 54, 55, 19]
  

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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