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

Submission ID: LET
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₅H₇N₁O₃
  Fragment probability: 0.59
  Fragment mass: 129.1137
  Fragment main chain atoms: [9, 11, 4, 6, 14]
  Fragment all atoms: [9, 43, 44, 26, 11, 18, 4, 33, 34, 6, 37, 38, 14, 20, 21, 50]
  

• C₈H₁₁N₁O₄
  Fragment probability: 0.56
  Fragment mass: 171.15030000000002
  Fragment main chain atoms: [10, 26, 9, 11, 4, 6, 14]
  Fragment all atoms: [10, 45, 46, 12, 5, 35, 36, 19, 26, 9, 43, 44, 11, 18, 4, 33, 34, 6, 37, 38, 14, 20, 21, 50]
  

• C₅H₇O₄
  Fragment probability: 0.75
  Fragment mass: 131.1064
  Fragment main chain atoms: [10, 12, 5, 7, 15]
  Fragment all atoms: [10, 45, 46, 26, 12, 19, 5, 35, 36, 7, 39, 40, 15, 23, 22, 51]
  

• C₄H₅O₂
  Fragment probability: 0.56
  Fragment mass: 115.10699999999999
  Fragment main chain atoms: [14, 6, 4, 11]
  Fragment all atoms: [14, 20, 21, 50, 6, 37, 38, 4, 33, 34, 11]
  

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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