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

Submission ID: ELG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [32, 31, 30, 26, 45, 33, 92, 43, 101, 42, 91, 100, 41, 90, 99]
  Fragment all atoms: [32, 31, 30, 26, 88, 20, 82, 83, 36, 96, 45, 33, 93, 44, 92, 43, 101, 42, 91, 100, 41, 90, 99]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [21, 24, 29, 25]
  Fragment all atoms: [21, 84, 85, 44, 24, 86, 35, 29, 89, 40, 98, 25, 87, 16, 75, 76, 12, 69, 70, 37, 97]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 101.10360000000001
  Fragment main chain atoms: [21, 24, 29]
  Fragment all atoms: [21, 84, 85, 44, 24, 86, 35, 29, 89, 40, 98]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [25, 29]
  Fragment all atoms: [25, 87, 16, 75, 76, 12, 69, 70, 37, 97, 29, 89, 24, 86, 21, 84, 85, 35, 40, 98]
  

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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