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

Submission ID: BFN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₁₀H₁₄N₁O₇
  Fragment probability: 1.00
  Fragment mass: 230.19419999999997
  Fragment main chain atoms: [14, 30, 18, 15, 13, 11, 8, 48, 1, 21, 22, 44, 25, 51]
  Fragment all atoms: [14, 45, 12, 43, 10, 41, 24, 50, 30, 18, 17, 27, 28, 52, 29, 53, 15, 46, 13, 11, 42, 8, 48, 1, 31, 32, 33, 21, 22, 44, 25, 51]
  

• C₃H₆N₁O₂
  Fragment probability: 0.71
  Fragment mass: 84.0963
  Fragment main chain atoms: [10, 12]
  Fragment all atoms: [10, 41, 7, 39, 40, 20, 23, 49, 12, 43, 24, 50]
  

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 96.107
  Fragment main chain atoms: [10, 7, 20, 16]
  Fragment all atoms: [10, 41, 23, 49, 7, 39, 40, 20, 16, 26]
  

• C₄H₆N₁O₃
  Fragment probability: 0.67
  Fragment mass: 125.125
  Fragment main chain atoms: [12, 10, 7, 20, 16]
  Fragment all atoms: [12, 43, 24, 50, 10, 41, 23, 49, 7, 39, 40, 20, 16, 26]
  

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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