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

Submission ID: BND
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: 231.20210000000003
  Fragment main chain atoms: [12, 8, 19, 30, 16, 14, 10, 52, 1, 22, 21, 23, 46, 53]
  Fragment all atoms: [12, 8, 42, 43, 19, 18, 27, 28, 56, 29, 30, 16, 50, 15, 49, 13, 47, 25, 55, 14, 48, 10, 52, 1, 31, 32, 33, 22, 21, 23, 46, 53]
  

• C₃H₆N₁O₂
  Fragment probability: 0.71
  Fragment mass: 84.0963
  Fragment main chain atoms: [13, 15]
  Fragment all atoms: [13, 47, 9, 44, 45, 20, 24, 54, 15, 49, 25, 55]
  

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 96.107
  Fragment main chain atoms: [13, 9, 20, 17]
  Fragment all atoms: [13, 47, 24, 54, 9, 44, 45, 20, 17, 26]
  

• C₄H₆N₁O₃
  Fragment probability: 0.67
  Fragment mass: 125.125
  Fragment main chain atoms: [15, 13, 9, 20, 17]
  Fragment all atoms: [15, 49, 25, 55, 13, 47, 24, 54, 9, 44, 45, 20, 17, 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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