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

Submission ID: DB6
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.56

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [43, 42, 41, 38, 54, 44, 52, 129, 137, 51, 128, 136, 50, 127, 135]
  Fragment all atoms: [43, 42, 41, 38, 125, 34, 119, 120, 46, 132, 54, 44, 130, 53, 52, 129, 137, 51, 128, 136, 50, 127, 135]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [35, 36, 40, 37]
  Fragment all atoms: [35, 121, 122, 53, 36, 123, 45, 40, 126, 49, 134, 37, 124, 32, 115, 116, 30, 111, 112, 47, 133]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 101.10360000000001
  Fragment main chain atoms: [35, 36, 40]
  Fragment all atoms: [35, 121, 122, 53, 36, 123, 45, 40, 126, 49, 134]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [37, 40]
  Fragment all atoms: [37, 124, 32, 115, 116, 30, 111, 112, 47, 133, 40, 126, 36, 123, 35, 121, 122, 45, 49, 134]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [11, 13]
  Fragment all atoms: [11, 77, 9, 73, 74, 7, 69, 70, 13, 80, 15, 83, 84, 17, 87]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [17, 18]
  Fragment all atoms: [17, 87, 15, 83, 84, 13, 80, 18, 88, 19, 89, 90, 20, 91, 92]
  

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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