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

Submission ID: AA8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.55
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₆H₈O₁
  Fragment probability: 0.42
  Fragment mass: 70.0896
  Fragment main chain atoms: [15, 27, 32]
  Fragment all atoms: [15, 71, 14, 70, 22, 27, 81, 12, 66, 67, 9, 61, 62, 32, 83]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 70.0467
  Fragment main chain atoms: [29, 19]
  Fragment all atoms: [29, 36, 35, 85, 19, 76, 23, 4, 18, 48, 49, 50, 74, 75]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [2, 21]
  Fragment all atoms: [2, 42, 43, 44, 21]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [3, 22]
  Fragment all atoms: [3, 45, 46, 47, 22]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [8, 11]
  Fragment all atoms: [8, 60, 10, 63, 64, 20, 77, 11, 65]
  

• C₄H₆O₁
  Fragment probability: 0.50
  Fragment mass: 68.0738
  Fragment main chain atoms: [14, 15]
  Fragment all atoms: [14, 70, 15, 71, 27, 81, 12, 66, 67, 32, 83]
  

• C₅H₇
  Fragment probability: 0.35
  Fragment mass: 66.1009
  Fragment main chain atoms: [16, 22]
  Fragment all atoms: [16, 72, 20, 77, 10, 1, 63, 64, 39, 40, 41, 22]
  

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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