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

Submission ID: RFH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.55
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₁₁H₁₆O₄
  Fragment probability: 0.55
  Fragment mass: 168.18929999999997
  Fragment main chain atoms: [19, 14, 29, 23, 39, 59, 27]
  Fragment all atoms: [19, 103, 58, 14, 94, 29, 109, 57, 23, 106, 3, 67, 68, 69, 39, 112, 25, 108, 5, 34, 73, 74, 75, 111, 59, 27, 7, 79, 80, 81, 48]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [2, 22]
  Fragment all atoms: [2, 64, 65, 66, 22]
  

• C₅H₅N₁O₁
  Fragment probability: 0.32
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [2, 22, 42]
  Fragment all atoms: [2, 64, 65, 66, 22, 13, 93, 11, 91, 42, 56, 44]
  

• C₆H₆N₁O₁
  Fragment probability: 0.31
  Fragment mass: 81.09239999999998
  Fragment main chain atoms: [13, 22, 42]
  Fragment all atoms: [13, 93, 11, 91, 12, 92, 22, 2, 64, 65, 66, 42, 56, 44]
  

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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