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

Submission ID: N57
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.64

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [23, 22, 21, 19, 33, 24, 73, 31, 82, 72, 30, 81, 29, 71, 80]
  Fragment all atoms: [23, 22, 21, 19, 69, 15, 63, 64, 26, 77, 33, 24, 74, 32, 73, 31, 82, 72, 30, 81, 29, 71, 80]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 116.138
  Fragment main chain atoms: [16, 17, 20, 18]
  Fragment all atoms: [16, 65, 66, 32, 17, 67, 25, 20, 70, 28, 79, 18, 68, 14, 61, 62, 13, 59, 60, 27, 78]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 102.1115
  Fragment main chain atoms: [16, 17, 20]
  Fragment all atoms: [16, 65, 66, 32, 17, 67, 25, 20, 70, 28, 79]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 69.1048
  Fragment main chain atoms: [18, 20]
  Fragment all atoms: [18, 68, 14, 61, 62, 13, 59, 60, 27, 78, 20, 70, 17, 67, 16, 65, 66, 25, 28, 79]
  

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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