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

Submission ID: 01E
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₄H₆N₂O₂
  Fragment probability: 0.50
  Fragment mass: 101.1036
  Fragment main chain atoms: [1, 19, 25, 28]
  Fragment all atoms: [1, 44, 45, 46, 19, 79, 34, 25, 81, 40, 87, 28, 42, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 71.1404
  Fragment main chain atoms: [2, 30]
  Fragment all atoms: [2, 47, 48, 49, 30]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 71.1404
  Fragment main chain atoms: [3, 30]
  Fragment all atoms: [3, 50, 51, 52, 30]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 71.1404
  Fragment main chain atoms: [4, 30]
  Fragment all atoms: [4, 53, 54, 55, 30]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 31]
  Fragment all atoms: [5, 56, 57, 58, 31]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [6, 31]
  Fragment all atoms: [6, 59, 60, 61, 31]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [7, 31]
  Fragment all atoms: [7, 62, 63, 64, 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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