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

Submission ID: CBN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₇H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 175.15880000000004
  Fragment main chain atoms: [27, 29, 30, 35, 49, 34, 41, 78, 86]
  Fragment all atoms: [27, 29, 79, 48, 30, 80, 45, 35, 4, 5, 59, 60, 61, 62, 63, 64, 49, 34, 81, 46, 41, 78, 86]
  

• C₉H₃N₁O₃
  Fragment probability: 1.00
  Fragment mass: 149.10349999999997
  Fragment main chain atoms: [26, 20, 28, 47, 33, 25]
  Fragment all atoms: [26, 40, 85, 20, 11, 73, 14, 76, 28, 24, 23, 47, 33, 44, 25, 38]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 16]
  Fragment all atoms: [1, 50, 51, 52, 16]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 16]
  Fragment all atoms: [2, 53, 54, 55, 16]
  

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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