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

Submission ID: 3LC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.81
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₅H₆N₂O₁
  Fragment probability: 0.33
  Fragment mass: 112.12950000000002
  Fragment main chain atoms: [11, 15, 13, 5, 1]
  Fragment all atoms: [11, 74, 37, 15, 77, 29, 13, 76, 31, 5, 64, 1, 53, 54]
  

• C₅H₄N₂O₂
  Fragment probability: 0.33
  Fragment mass: 123.1125
  Fragment main chain atoms: [11, 15, 29, 21]
  Fragment all atoms: [11, 74, 37, 15, 77, 13, 76, 5, 64, 31, 29, 21, 40]
  

• C₄H₇O₃
  Fragment probability: 0.81
  Fragment mass: 87.09690000000002
  Fragment main chain atoms: [22, 26, 2]
  Fragment all atoms: [22, 42, 41, 84, 26, 3, 58, 59, 60, 49, 2, 55, 56, 57]
  

• C₇H₆N₂O₂
  Fragment probability: 0.31
  Fragment mass: 178.1677
  Fragment main chain atoms: [1, 5, 13, 15, 29, 21, 19]
  Fragment all atoms: [1, 53, 54, 5, 64, 13, 76, 31, 15, 77, 11, 74, 37, 29, 21, 40, 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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