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

Submission ID: T08
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.55

List of identified carbohydrate fragments:

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 91.0856
  Fragment main chain atoms: [14, 21, 15]
  Fragment all atoms: [14, 59, 60, 27, 67, 21, 65, 28, 68, 15, 61, 62, 30]
  

• C₆H₁₃O₂
  Fragment probability: 0.62
  Fragment mass: 117.16570000000002
  Fragment main chain atoms: [16, 24, 25, 3]
  Fragment all atoms: [16, 63, 64, 31, 24, 66, 29, 69, 25, 4, 5, 41, 42, 43, 44, 45, 46, 3, 38, 39, 40]
  

• C₃H₄O₂
  Fragment probability: 0.67
  Fragment mass: 117.16570000000002
  Fragment main chain atoms: [16, 24, 25]
  Fragment all atoms: [16, 63, 64, 31, 24, 66, 29, 69, 25]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 87.1398
  Fragment main chain atoms: [3, 25]
  Fragment all atoms: [3, 38, 39, 40, 25]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 87.1398
  Fragment main chain atoms: [4, 25]
  Fragment all atoms: [4, 41, 42, 43, 25]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 87.1398
  Fragment main chain atoms: [5, 25]
  Fragment all atoms: [5, 44, 45, 46, 25]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 66.1009
  Fragment main chain atoms: [6, 26]
  Fragment all atoms: [6, 47, 48, 49, 26]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 66.1009
  Fragment main chain atoms: [7, 26]
  Fragment all atoms: [7, 50, 51, 52, 26]
  

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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