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

Submission ID: GGV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.24

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [1, 47]
  Fragment all atoms: [1, 64, 65, 66, 47]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [2, 47]
  Fragment all atoms: [2, 67, 68, 69, 47]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [3, 47]
  Fragment all atoms: [3, 70, 71, 72, 47]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [4, 48]
  Fragment all atoms: [4, 73, 74, 75, 48]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 48]
  Fragment all atoms: [5, 76, 77, 78, 48]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [6, 48]
  Fragment all atoms: [6, 79, 80, 81, 48]
  

• C₅H₈N₁O₁
  Fragment probability: 0.45
  Fragment mass: 68.0969
  Fragment main chain atoms: [7, 49, 8]
  Fragment all atoms: [7, 82, 83, 84, 49, 40, 20, 101, 51, 62, 126, 8, 85, 86, 87]
  

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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