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

Submission ID: 67F
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.63

List of identified carbohydrate fragments:

• C₈H₁₄N₂O₅
  Fragment probability: 1.00
  Fragment mass: 219.21450000000002
  Fragment main chain atoms: [22, 25, 24, 21, 41, 26, 17, 76, 3, 30, 34, 73, 36, 80, 72, 35, 79]
  Fragment all atoms: [22, 70, 25, 24, 21, 69, 15, 66, 67, 33, 78, 41, 26, 74, 31, 17, 76, 3, 50, 51, 52, 30, 34, 73, 36, 80, 72, 35, 79]
  

• C₅H₉N₁O₂
  Fragment probability: 0.59
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [27, 23, 16, 1]
  Fragment all atoms: [27, 37, 38, 81, 23, 71, 32, 16, 68, 2, 47, 48, 49, 1, 44, 45, 46]
  

• C₈H₁₃N₂O₂
  Fragment probability: 0.47
  Fragment mass: 155.15419999999997
  Fragment main chain atoms: [27, 23, 32, 14, 13, 29, 28]
  Fragment all atoms: [27, 37, 38, 81, 23, 71, 16, 68, 2, 1, 47, 48, 49, 44, 45, 46, 32, 14, 64, 65, 13, 62, 63, 29, 28]
  

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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