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

Submission ID: CNY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [17, 19, 9, 38, 23]
  Fragment all atoms: [17, 62, 35, 85, 19, 64, 40, 9, 54, 4, 48, 49, 29, 38, 23, 68, 41]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 177.17790000000005
  Fragment main chain atoms: [10, 15, 13, 7, 36, 21, 33, 60, 83, 31, 58, 81]
  Fragment all atoms: [10, 55, 28, 15, 13, 7, 52, 2, 44, 45, 24, 36, 21, 66, 40, 33, 60, 83, 31, 58, 81]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 176.17000000000004
  Fragment main chain atoms: [16, 14, 8, 37, 22, 11, 34, 61, 84, 32, 59, 82]
  Fragment all atoms: [16, 14, 8, 53, 3, 46, 47, 25, 37, 22, 67, 39, 11, 56, 29, 34, 61, 84, 32, 59, 82]
  

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.17060000000004
  Fragment main chain atoms: [6, 18, 20, 12, 5, 1]
  Fragment all atoms: [6, 51, 27, 18, 63, 39, 20, 65, 41, 12, 57, 30, 80, 5, 50, 26, 1, 42, 43]
  

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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