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

Submission ID: 75V
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₇O₃
  Fragment probability: 0.65
  Fragment mass: 86.089
  Fragment main chain atoms: [6, 23, 15]
  Fragment all atoms: [6, 39, 40, 2, 28, 29, 30, 23, 15, 11, 45, 10, 44, 24, 22]
  

• C₉H₁₅N₂O₃
  Fragment probability: 0.52
  Fragment mass: 186.2078
  Fragment main chain atoms: [14, 8, 16, 12, 9, 7, 3]
  Fragment all atoms: [14, 20, 21, 48, 8, 42, 4, 34, 35, 36, 16, 12, 18, 9, 43, 17, 7, 41, 5, 37, 38, 1, 25, 26, 27, 3, 31, 32, 33]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 88.08500000000001
  Fragment main chain atoms: [14, 8, 4]
  Fragment all atoms: [14, 20, 21, 48, 8, 42, 16, 4, 34, 35, 36]
  

• C₉H₁₂N₂O₄
  Fragment probability: 0.50
  Fragment mass: 198.1756
  Fragment main chain atoms: [14, 8, 16, 12, 9, 17, 13]
  Fragment all atoms: [14, 20, 21, 48, 8, 42, 4, 34, 35, 36, 16, 12, 18, 9, 43, 7, 41, 3, 5, 31, 32, 33, 37, 38, 17, 13, 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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