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

Submission ID: PH1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.24

List of identified carbohydrate fragments:

• C₉H₁₆O₂
  Fragment probability: 0.56
  Fragment mass: 130.1843
  Fragment main chain atoms: [32, 44, 34, 43, 45, 33]
  Fragment all atoms: [32, 119, 120, 30, 115, 116, 41, 131, 44, 34, 123, 124, 43, 133, 11, 76, 77, 78, 45, 33, 121, 122, 31, 117, 118, 42, 132]
  

• C₄H₇O₁
  Fragment probability: 0.56
  Fragment mass: 87.09689999999999
  Fragment main chain atoms: [32, 44, 34]
  Fragment all atoms: [32, 119, 120, 30, 115, 116, 41, 131, 44, 34, 123, 124]
  

• C₆H₁₁O₂
  Fragment probability: 0.62
  Fragment mass: 102.1313
  Fragment main chain atoms: [32, 44, 34, 43, 11]
  Fragment all atoms: [32, 119, 120, 30, 115, 116, 41, 131, 44, 34, 123, 124, 43, 133, 45, 11, 76, 77, 78]
  

• C₆H₁₁O₂
  Fragment probability: 0.62
  Fragment mass: 102.1313
  Fragment main chain atoms: [33, 45, 43, 34]
  Fragment all atoms: [33, 121, 122, 31, 117, 118, 42, 132, 45, 43, 133, 11, 76, 77, 78, 34, 123, 124, 44]
  

• C₃H₆O₂
  Fragment probability: 0.83
  Fragment mass: 74.0783
  Fragment main chain atoms: [34, 43, 11]
  Fragment all atoms: [34, 123, 124, 44, 43, 133, 45, 11, 76, 77, 78]
  

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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