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

Submission ID: MJZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [35, 14, 12, 10, 6]
  Fragment all atoms: [35, 14, 55, 21, 12, 53, 26, 63, 10, 51, 24, 61, 6, 48, 4, 46, 47, 34]
  

• C₈H₁₁N₂O₆
  Fragment probability: 1.00
  Fragment mass: 233.1981
  Fragment main chain atoms: [8, 11, 13, 36, 16, 9, 5, 59, 1, 19, 22, 52, 25, 62]
  Fragment all atoms: [8, 49, 18, 11, 13, 54, 15, 28, 27, 64, 36, 16, 56, 37, 9, 50, 5, 59, 1, 41, 42, 43, 19, 22, 52, 25, 62]
  

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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