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

Submission ID: 94T
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [9, 10, 11, 25, 7]
  Fragment all atoms: [9, 41, 16, 45, 10, 42, 17, 46, 11, 43, 14, 25, 7, 40, 6, 38, 39, 24]
  

• C₄H₉O₃
  Fragment probability: 0.81
  Fragment mass: 247.05670000000006
  Fragment main chain atoms: [5, 23, 27, 26, 28, 24, 6]
  Fragment all atoms: [5, 36, 37, 2, 32, 33, 1, 29, 30, 31, 23, 27, 26, 28, 24, 6, 38, 39]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 59.0868
  Fragment main chain atoms: [5, 2, 1]
  Fragment all atoms: [5, 36, 37, 23, 2, 32, 33, 1, 29, 30, 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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