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

Submission ID: 4RA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₈H₁₃N₂O₄
  Fragment probability: 1.00
  Fragment mass: 201.1993
  Fragment main chain atoms: [11, 47, 24, 18, 21, 17, 12, 80, 3, 28, 31, 76, 35, 84]
  Fragment all atoms: [11, 71, 2, 57, 58, 59, 47, 24, 79, 49, 18, 74, 21, 17, 73, 27, 12, 80, 3, 60, 61, 62, 28, 31, 76, 35, 84]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [48, 23, 22, 20, 15]
  Fragment all atoms: [48, 23, 78, 30, 22, 77, 36, 85, 20, 75, 34, 83, 15, 72, 9, 69, 70, 46]
  

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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