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

Submission ID: NOV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.66

List of identified carbohydrate fragments:

• C₇H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 175.15880000000004
  Fragment main chain atoms: [23, 25, 26, 31, 44, 29, 36, 71, 80]
  Fragment all atoms: [23, 25, 72, 43, 26, 73, 40, 31, 4, 5, 54, 55, 56, 57, 58, 59, 44, 29, 74, 41, 36, 71, 80]
  

• C₁₀H₆N₁O₃
  Fragment probability: 1.00
  Fragment mass: 149.10349999999997
  Fragment main chain atoms: [22, 18, 24, 42, 28, 21]
  Fragment all atoms: [22, 35, 79, 18, 10, 67, 12, 69, 24, 15, 3, 20, 51, 52, 53, 42, 28, 38, 21, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 14]
  Fragment all atoms: [1, 45, 46, 47, 14]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 14]
  Fragment all atoms: [2, 48, 49, 50, 14]
  

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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