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

Submission ID: ATI
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.86
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₄H₅N₁O₄
  Fragment probability: 0.86
  Fragment mass: 132.0945
  Fragment main chain atoms: [14, 8, 13, 21]
  Fragment all atoms: [14, 26, 27, 69, 8, 54, 55, 13, 60, 23, 21, 32, 33, 71]
  

• C₉H₁₂N₂O₃
  Fragment probability: 0.45
  Fragment mass: 186.2078
  Fragment main chain atoms: [21, 13, 23, 18, 15, 10, 3]
  Fragment all atoms: [21, 32, 33, 71, 13, 60, 8, 54, 55, 14, 23, 18, 29, 15, 61, 24, 10, 57, 4, 43, 44, 45, 3, 40, 41, 42]
  

• C₁₅H₂₀N₃O₅
  Fragment probability: 0.45
  Fragment mass: 267.2375
  Fragment main chain atoms: [21, 13, 23, 18, 15, 24, 19, 16, 25, 20]
  Fragment all atoms: [21, 32, 33, 71, 13, 60, 8, 54, 55, 14, 23, 18, 29, 15, 61, 10, 57, 3, 4, 40, 41, 42, 43, 44, 45, 24, 19, 30, 16, 62, 11, 58, 5, 6, 46, 47, 48, 49, 50, 51, 25, 20, 31]
  

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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