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

Submission ID: 78O
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.70
• Compound probability: 0.79

List of identified carbohydrate fragments:

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 102.08840000000001
  Fragment main chain atoms: [21, 15, 1]
  Fragment all atoms: [21, 25, 26, 61, 15, 55, 20, 58, 12, 50, 51, 28, 1, 30, 31, 32]
  

• C₇H₁₃O₃
  Fragment probability: 0.68
  Fragment mass: 131.1493
  Fragment main chain atoms: [21, 15, 20, 28, 3]
  Fragment all atoms: [21, 25, 26, 61, 15, 55, 1, 30, 31, 32, 20, 58, 12, 50, 51, 5, 40, 41, 28, 3, 36, 37, 38]
  

• C₈H₉N₁O₂
  Fragment probability: 0.38
  Fragment mass: 96.10700000000001
  Fragment main chain atoms: [22, 29, 16, 2]
  Fragment all atoms: [22, 19, 57, 11, 48, 49, 24, 27, 29, 16, 56, 18, 10, 14, 47, 54, 2, 33, 34, 35]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 52.0744
  Fragment main chain atoms: [4, 8]
  Fragment all atoms: [4, 39, 5, 40, 41, 12, 50, 51, 8, 45]
  

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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