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

Submission ID: EZ5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [44, 32, 30, 29, 28, 24, 41, 92, 100, 91, 40, 99, 39, 90, 98]
  Fragment all atoms: [44, 32, 94, 45, 30, 29, 28, 24, 87, 16, 81, 82, 43, 41, 92, 100, 91, 40, 99, 39, 90, 98]
  

• C₅H₈O₁
  Fragment probability: 0.50
  Fragment mass: 58.0789
  Fragment main chain atoms: [15, 42, 8]
  Fragment all atoms: [15, 79, 80, 20, 85, 10, 23, 70, 71, 42, 8, 66, 67, 68]
  

• C₆H₁₁O₁
  Fragment probability: 0.54
  Fragment mass: 114.14200000000001
  Fragment main chain atoms: [16, 43, 33, 5]
  Fragment all atoms: [16, 81, 82, 43, 33, 9, 6, 69, 1, 46, 47, 60, 61, 62, 5, 57, 58, 59]
  

• C₅H₉O₁
  Fragment probability: 0.55
  Fragment mass: 128.16850000000002
  Fragment main chain atoms: [16, 43, 33, 9]
  Fragment all atoms: [16, 81, 82, 43, 33, 5, 6, 57, 58, 59, 60, 61, 62, 9, 69]
  

• C₅H₉O₁
  Fragment probability: 0.55
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [5, 33, 6]
  Fragment all atoms: [5, 57, 58, 59, 33, 9, 69, 1, 46, 47, 43, 6, 60, 61, 62]
  

• C₄H₇O₁
  Fragment probability: 0.56
  Fragment mass: 69.1246
  Fragment main chain atoms: [5, 33, 9]
  Fragment all atoms: [5, 57, 58, 59, 33, 6, 60, 61, 62, 43, 9, 69]
  

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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