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

Submission ID: 79F
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.53
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₉H₁₀N₃O₄
  Fragment probability: 0.43
  Fragment mass: 250.14540000000005
  Fragment main chain atoms: [9, 15, 21, 30, 11, 19, 18, 29, 10]
  Fragment all atoms: [9, 44, 45, 22, 56, 15, 52, 16, 23, 20, 21, 30, 11, 48, 49, 19, 18, 26, 29, 10, 46, 47, 13, 7, 6, 41, 40]
  

• C₇H₉N₂O₄
  Fragment probability: 0.53
  Fragment mass: 174.1542
  Fragment main chain atoms: [9, 15, 16, 20, 14, 17]
  Fragment all atoms: [9, 44, 45, 22, 56, 15, 52, 21, 16, 23, 20, 14, 51, 8, 42, 43, 12, 50, 17, 24, 25, 57]
  

• C₁₃H₁₅N₃O₆
  Fragment probability: 0.47
  Fragment mass: 337.2225
  Fragment main chain atoms: [10, 29, 18, 19, 11, 30, 21, 15, 16, 20, 14, 17]
  Fragment all atoms: [10, 46, 47, 13, 7, 6, 41, 40, 29, 18, 26, 19, 11, 48, 49, 30, 21, 15, 52, 9, 44, 45, 22, 56, 16, 23, 20, 14, 51, 8, 42, 43, 12, 50, 17, 24, 25, 57]
  

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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