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

Submission ID: T65
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.57
• Compound probability: 0.64

List of identified carbohydrate fragments:

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 114.0793
  Fragment main chain atoms: [18, 16, 19, 15]
  Fragment all atoms: [18, 21, 22, 53, 16, 51, 52, 19, 15, 50]
  

• C₆H₈N₁O₃
  Fragment probability: 0.54
  Fragment mass: 112.10640000000001
  Fragment main chain atoms: [18, 16, 19, 15, 17]
  Fragment all atoms: [18, 21, 22, 53, 16, 51, 52, 19, 15, 50, 17, 14, 48, 49, 13, 46, 47, 20]
  

• C₆H₁₀
  Fragment probability: 0.42
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [11, 12]
  Fragment all atoms: [11, 44, 10, 42, 43, 9, 40, 41, 12, 45, 13, 46, 47, 14, 48, 49]
  

• C₄H₅N₁O₁
  Fragment probability: 0.39
  Fragment mass: 53.0625
  Fragment main chain atoms: [15, 17]
  Fragment all atoms: [15, 50, 19, 17, 14, 48, 49, 13, 46, 47, 20]
  

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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