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

Submission ID: TBH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₇H₁₀N₃O₂
  Fragment probability: 0.41
  Fragment mass: 113.13740000000001
  Fragment main chain atoms: [27, 23, 33, 28]
  Fragment all atoms: [27, 80, 37, 87, 32, 23, 78, 18, 74, 75, 21, 33, 28, 81, 24, 79, 17, 72, 73, 34, 38, 88]
  

• C₉H₁₆N₂O₃
  Fragment probability: 0.55
  Fragment mass: 175.2248
  Fragment main chain atoms: [28, 24, 34, 30, 43, 31, 2]
  Fragment all atoms: [28, 81, 38, 88, 33, 24, 79, 17, 72, 73, 20, 34, 30, 82, 41, 90, 43, 31, 3, 4, 50, 51, 52, 53, 54, 55, 2, 47, 48, 49]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 31, 3]
  Fragment all atoms: [2, 47, 48, 49, 31, 4, 53, 54, 55, 43, 3, 50, 51, 52]
  

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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