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

Submission ID: MMF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.56

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [4, 9, 10, 32, 11]
  Fragment all atoms: [4, 46, 47, 9, 52, 21, 61, 10, 53, 6, 49, 50, 30, 32, 11, 54, 20]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000004
  Fragment main chain atoms: [14, 12, 13, 8, 31, 16, 57, 23, 63, 22, 56, 62]
  Fragment all atoms: [14, 12, 55, 18, 13, 8, 51, 2, 40, 41, 42, 31, 16, 58, 33, 57, 23, 63, 22, 56, 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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