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

Submission ID: SGF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [22, 23, 21, 20, 34, 24, 29, 74, 82, 73, 28, 81]
  Fragment all atoms: [22, 23, 75, 35, 21, 20, 72, 16, 66, 67, 26, 79, 34, 24, 76, 33, 29, 74, 82, 73, 28, 81]
  

• C₆H₉N₁O₁
  Fragment probability: 0.42
  Fragment mass: 85.10419999999999
  Fragment main chain atoms: [15, 19, 27]
  Fragment all atoms: [15, 65, 14, 64, 13, 62, 63, 19, 71, 18, 70, 17, 68, 69, 25, 27, 80]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 129.15660000000003
  Fragment main chain atoms: [17, 18, 19, 15, 14]
  Fragment all atoms: [17, 68, 69, 33, 18, 70, 25, 19, 71, 27, 80, 15, 65, 14, 64, 13, 62, 63, 12, 60, 61]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [17, 18, 19, 15]
  Fragment all atoms: [17, 68, 69, 33, 18, 70, 25, 19, 71, 27, 80, 15, 65]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [14, 15]
  Fragment all atoms: [14, 64, 13, 62, 63, 12, 60, 61, 15, 65, 19, 71, 18, 70, 27, 80]
  

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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