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

Submission ID: SFT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [45, 46, 44, 43, 60, 48, 54, 146, 154, 53, 145, 153]
  Fragment all atoms: [45, 46, 147, 61, 44, 43, 144, 38, 137, 138, 50, 150, 60, 48, 148, 59, 54, 146, 154, 53, 145, 153]
  

• C₆H₉N₁O₁
  Fragment probability: 0.42
  Fragment mass: 84.0963
  Fragment main chain atoms: [36, 41, 51]
  Fragment all atoms: [36, 134, 34, 131, 32, 127, 128, 41, 142, 40, 141, 39, 139, 140, 49, 51, 151]
  

• C₅H₆N₁O₃
  Fragment probability: 0.55
  Fragment mass: 130.12160000000003
  Fragment main chain atoms: [39, 40, 49, 47]
  Fragment all atoms: [39, 139, 140, 59, 40, 141, 41, 142, 36, 134, 51, 151, 49, 47, 55]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 128.14870000000002
  Fragment main chain atoms: [39, 40, 41, 36, 34]
  Fragment all atoms: [39, 139, 140, 59, 40, 141, 49, 41, 142, 51, 151, 36, 134, 34, 131, 32, 127, 128, 30, 123, 124]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 114.12220000000002
  Fragment main chain atoms: [39, 40, 41, 36]
  Fragment all atoms: [39, 139, 140, 59, 40, 141, 49, 41, 142, 51, 151, 36, 134]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [34, 36]
  Fragment all atoms: [34, 131, 32, 127, 128, 30, 123, 124, 36, 134, 41, 142, 40, 141, 51, 151]
  

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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