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

Submission ID: M8O
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₃H₃O₂
  Fragment probability: 0.58
  Fragment mass: 99.0647
  Fragment main chain atoms: [7, 2, 1]
  Fragment all atoms: [7, 11, 12, 21, 2, 16, 1, 15]
  

• C₄H₃O₂
  Fragment probability: 0.44
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [7, 2]
  Fragment all atoms: [7, 11, 12, 21, 2, 16, 1, 15, 5]
  

• C₆H₅O₃
  Fragment probability: 0.46
  Fragment mass: 97.0918
  Fragment main chain atoms: [7, 2, 1, 5]
  Fragment all atoms: [7, 11, 12, 21, 2, 16, 1, 15, 5, 3, 17, 18, 6, 9]
  

• C₅H₅O₄
  Fragment probability: 0.65
  Fragment mass: 126.10979999999999
  Fragment main chain atoms: [8, 4, 6, 3, 5]
  Fragment all atoms: [8, 13, 14, 22, 4, 19, 20, 6, 10, 3, 17, 18, 5, 9]
  

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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