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

Submission ID: EVV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.86
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₇H₁₀N₁O₁
  Fragment probability: 0.40
  Fragment mass: 129.13680000000002
  Fragment main chain atoms: [17, 34, 22, 5, 2]
  Fragment all atoms: [17, 76, 35, 34, 22, 79, 19, 77, 9, 27, 65, 66, 5, 57, 58, 2, 49, 50, 51]
  

• C₁₀H₁₄N₃O₃
  Fragment probability: 0.43
  Fragment mass: 240.21550000000005
  Fragment main chain atoms: [17, 34, 22, 19, 27, 31, 16, 32, 29]
  Fragment all atoms: [17, 76, 35, 34, 22, 79, 5, 57, 58, 2, 49, 50, 51, 19, 77, 9, 65, 66, 8, 63, 64, 27, 38, 31, 16, 74, 75, 32, 29, 40]
  

• C₅H₅N₁O₅
  Fragment probability: 0.86
  Fragment mass: 156.1159
  Fragment main chain atoms: [26, 15, 21, 33, 28]
  Fragment all atoms: [26, 36, 37, 83, 15, 72, 73, 21, 78, 30, 42, 41, 84, 33, 28, 39]
  

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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