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

Submission ID: 8ZV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₅H₇N₂O₂
  Fragment probability: 0.46
  Fragment mass: 98.103
  Fragment main chain atoms: [13, 39, 28]
  Fragment all atoms: [13, 62, 63, 11, 58, 59, 29, 39, 28, 26, 77, 10, 56, 57, 30, 32]
  

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 83.0884
  Fragment main chain atoms: [13, 11, 29, 27]
  Fragment all atoms: [13, 62, 63, 39, 11, 58, 59, 29, 27, 31]
  

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 75.0862
  Fragment main chain atoms: [14, 35, 1]
  Fragment all atoms: [14, 64, 65, 16, 68, 69, 37, 35, 1, 41, 42, 43]
  

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 75.0862
  Fragment main chain atoms: [15, 36, 2]
  Fragment all atoms: [15, 66, 67, 17, 70, 71, 38, 36, 2, 44, 45, 46]
  

• C₆H₇N₂O₃
  Fragment probability: 0.46
  Fragment mass: 122.1244
  Fragment main chain atoms: [28, 39, 13, 11, 29, 27]
  Fragment all atoms: [28, 26, 77, 10, 56, 57, 30, 32, 39, 13, 62, 63, 11, 58, 59, 29, 27, 31]
  

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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