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

Submission ID: 44D
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 146.1639
  Fragment main chain atoms: [43, 21, 7, 17, 26, 12, 37, 74, 80]
  Fragment all atoms: [43, 21, 72, 46, 7, 57, 58, 17, 69, 33, 26, 12, 67, 1, 47, 48, 49, 37, 74, 80]
  

• C₆H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 146.14080000000004
  Fragment main chain atoms: [18, 8, 22, 44, 13, 31, 35, 70, 79]
  Fragment all atoms: [18, 8, 59, 60, 22, 73, 45, 44, 13, 68, 2, 50, 51, 52, 31, 75, 46, 35, 70, 79]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 72.0625
  Fragment main chain atoms: [11, 20]
  Fragment all atoms: [11, 65, 66, 34, 78, 20, 32, 10, 9, 63, 64, 61, 62, 42, 83, 36]
  

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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