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

Submission ID: EKQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.86
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₄H₅N₁O₄
  Fragment probability: 0.86
  Fragment mass: 132.0945
  Fragment main chain atoms: [7, 3, 5, 9]
  Fragment all atoms: [7, 13, 14, 33, 3, 25, 26, 5, 29, 11, 9, 18, 17, 35]
  

• C₁₀H₁₃N₂O₆
  Fragment probability: 0.57
  Fragment mass: 247.22460000000007
  Fragment main chain atoms: [7, 3, 5, 11, 1, 2, 12, 6, 10]
  Fragment all atoms: [7, 13, 14, 33, 3, 25, 26, 5, 29, 9, 18, 17, 35, 11, 1, 21, 22, 2, 23, 24, 12, 6, 30, 4, 27, 28, 8, 10, 19, 20, 36]
  

• C₁₀H₁₃N₂O₆
  Fragment probability: 0.57
  Fragment mass: 247.22460000000007
  Fragment main chain atoms: [8, 4, 6, 12, 2, 1, 11, 5, 9]
  Fragment all atoms: [8, 15, 16, 34, 4, 27, 28, 6, 30, 10, 19, 20, 36, 12, 2, 23, 24, 1, 21, 22, 11, 5, 29, 3, 25, 26, 7, 9, 18, 17, 35]
  

• C₄H₅N₁O₄
  Fragment probability: 0.86
  Fragment mass: 132.0945
  Fragment main chain atoms: [8, 4, 6, 10]
  Fragment all atoms: [8, 15, 16, 34, 4, 27, 28, 6, 30, 12, 10, 19, 20, 36]
  

• C₁₀H₁₂N₂O₄
  Fragment probability: 0.45
  Fragment mass: 202.2072
  Fragment main chain atoms: [9, 5, 11, 1, 2, 12, 6, 10]
  Fragment all atoms: [9, 18, 17, 35, 5, 29, 3, 25, 26, 7, 11, 1, 21, 22, 2, 23, 24, 12, 6, 30, 4, 27, 28, 8, 10, 19, 20, 36]
  

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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