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

Submission ID: JLS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [47, 46, 45, 42, 58, 48, 143, 56, 151, 142, 55, 150, 54, 141, 149]
  Fragment all atoms: [47, 46, 45, 42, 139, 38, 133, 134, 50, 146, 58, 48, 144, 57, 143, 56, 151, 142, 55, 150, 54, 141, 149]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [39, 40, 44, 41]
  Fragment all atoms: [39, 135, 136, 57, 40, 137, 49, 44, 140, 53, 148, 41, 138, 36, 129, 130, 34, 125, 126, 51, 147]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 101.10360000000001
  Fragment main chain atoms: [39, 40, 44]
  Fragment all atoms: [39, 135, 136, 57, 40, 137, 49, 44, 140, 53, 148]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [41, 44]
  Fragment all atoms: [41, 138, 36, 129, 130, 34, 125, 126, 51, 147, 44, 140, 40, 137, 39, 135, 136, 49, 53, 148]
  

• C₆H₁₀
  Fragment probability: 0.42
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [17, 18]
  Fragment all atoms: [17, 93, 15, 89, 90, 13, 85, 86, 18, 94, 19, 95, 96, 20, 97, 98]
  

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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