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

Submission ID: PHO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.28

List of identified carbohydrate fragments:

• C₆H₇O₂
  Fragment probability: 0.46
  Fragment mass: 69.0817
  Fragment main chain atoms: [27, 64, 48]
  Fragment all atoms: [27, 126, 127, 26, 125, 34, 64, 48, 25, 123, 124, 24, 121, 122, 60]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 55.0552
  Fragment main chain atoms: [27, 26]
  Fragment all atoms: [27, 126, 127, 64, 26, 125]
  

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 81.09240000000001
  Fragment main chain atoms: [48, 64, 27, 26]
  Fragment all atoms: [48, 25, 123, 124, 24, 121, 122, 60, 64, 27, 126, 127, 26, 125]
  

• C₅H₄O₂
  Fragment probability: 0.40
  Fragment mass: 56.0631
  Fragment main chain atoms: [55, 63, 12]
  Fragment all atoms: [55, 51, 136, 50, 54, 62, 63, 12, 97, 98, 99]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [7, 34]
  Fragment all atoms: [7, 82, 83, 84, 34]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 39.0558
  Fragment main chain atoms: [1, 13]
  Fragment all atoms: [1, 65, 66, 13, 100]
  

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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