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

Submission ID: SF8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.71
• Compound probability: 0.91

List of identified carbohydrate fragments:

• C₆H₇O₅
  Fragment probability: 0.71
  Fragment mass: 130.0985
  Fragment main chain atoms: [11, 6, 16, 14]
  Fragment all atoms: [11, 23, 22, 51, 6, 44, 45, 16, 4, 40, 41, 9, 32, 56, 14, 29, 28, 54]
  

• C₁₀H₁₃N₁O₈
  Fragment probability: 0.69
  Fragment mass: 245.1857
  Fragment main chain atoms: [12, 7, 17, 5, 10, 19, 8, 13]
  Fragment all atoms: [12, 25, 24, 52, 7, 46, 47, 17, 15, 31, 30, 55, 33, 57, 5, 42, 43, 10, 21, 19, 8, 48, 2, 36, 37, 1, 34, 35, 13, 26, 27, 53]
  

• C₆H₇O₅
  Fragment probability: 0.71
  Fragment mass: 130.0985
  Fragment main chain atoms: [12, 7, 17, 15]
  Fragment all atoms: [12, 25, 24, 52, 7, 46, 47, 17, 5, 42, 43, 10, 33, 57, 15, 31, 30, 55]
  

• C₁₀H₁₂N₁O₆
  Fragment probability: 0.57
  Fragment mass: 200.1683
  Fragment main chain atoms: [13, 8, 19, 10, 5, 17, 15]
  Fragment all atoms: [13, 26, 27, 53, 8, 48, 2, 36, 37, 1, 34, 35, 19, 10, 21, 5, 42, 43, 17, 7, 46, 47, 12, 33, 57, 15, 31, 30, 55]
  

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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