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

Submission ID: AET
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [11, 10, 7, 33, 14]
  Fragment all atoms: [11, 49, 25, 54, 10, 48, 24, 53, 7, 46, 3, 41, 42, 32, 33, 14, 50, 22]
  

• C₄H₇N₁O₃
  Fragment probability: 0.72
  Fragment mass: 118.11090000000002
  Fragment main chain atoms: [15, 8, 6, 1]
  Fragment all atoms: [15, 26, 27, 55, 8, 47, 20, 6, 45, 23, 52, 1, 35, 36, 37]
  

• C₆H₁₀N₂O₄
  Fragment probability: 0.64
  Fragment mass: 200.15179999999995
  Fragment main chain atoms: [15, 8, 20, 16, 21, 2]
  Fragment all atoms: [15, 26, 27, 55, 8, 47, 6, 45, 1, 35, 36, 37, 23, 52, 20, 16, 28, 21, 2, 38, 39, 40]
  

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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