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

Submission ID: 0ZL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.54
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₁₈H₂₄N₃O₆
  Fragment probability: 0.46
  Fragment mass: 312.34069999999997
  Fragment main chain atoms: [8, 38, 29, 32, 24, 28, 31, 23, 27, 30, 22, 26, 25]
  Fragment all atoms: [8, 60, 61, 1, 39, 40, 41, 38, 29, 37, 32, 24, 86, 15, 74, 75, 19, 81, 28, 36, 31, 23, 85, 14, 72, 73, 18, 80, 27, 35, 30, 22, 84, 17, 78, 79, 21, 83, 26, 88, 34, 93, 25, 87, 16, 76, 77, 20, 82, 33, 92]
  

• C₁₅H₁₉N₃O₅
  Fragment probability: 0.44
  Fragment mass: 298.31419999999997
  Fragment main chain atoms: [8, 38, 29, 32, 24, 28, 31, 23, 27, 30, 22, 26]
  Fragment all atoms: [8, 60, 61, 1, 39, 40, 41, 38, 29, 37, 32, 24, 86, 15, 74, 75, 19, 81, 28, 36, 31, 23, 85, 14, 72, 73, 18, 80, 27, 35, 30, 22, 84, 17, 78, 79, 21, 83, 26, 88, 34, 93]
  

• C₆H₁₀N₁O₂
  Fragment probability: 0.54
  Fragment mass: 68.0969
  Fragment main chain atoms: [25, 26]
  Fragment all atoms: [25, 87, 16, 76, 77, 20, 82, 33, 92, 26, 88, 22, 84, 17, 78, 79, 30, 34, 93]
  

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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