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

Submission ID: VVA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.78
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₄H₈N₁O₃
  Fragment probability: 0.78
  Fragment mass: 184.1072
  Fragment main chain atoms: [18, 27, 29, 28, 20, 19]
  Fragment all atoms: [18, 65, 66, 17, 63, 64, 22, 27, 29, 28, 20, 69, 70, 19, 67, 68, 26]
  

• C₇H₁₂N₁O₄
  Fragment probability: 0.67
  Fragment mass: 210.14440000000002
  Fragment main chain atoms: [18, 27, 29, 28, 20, 19, 26, 21]
  Fragment all atoms: [18, 65, 66, 17, 63, 64, 22, 27, 29, 28, 20, 69, 70, 19, 67, 68, 26, 21, 16, 61, 62, 15, 59, 60, 23]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 86.089
  Fragment main chain atoms: [19, 26, 21]
  Fragment all atoms: [19, 67, 68, 20, 69, 70, 28, 26, 21, 16, 61, 62, 15, 59, 60, 23]
  

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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