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

Submission ID: UDM
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:

• C₉H₁₆N₁O₅
  Fragment probability: 1.00
  Fragment mass: 218.22640000000004
  Fragment main chain atoms: [10, 35, 8, 13, 15, 12, 7, 60, 1, 19, 23, 25, 55, 63, 27, 57, 65]
  Fragment all atoms: [10, 53, 6, 49, 50, 35, 8, 51, 4, 45, 46, 22, 62, 13, 15, 12, 54, 7, 60, 1, 40, 41, 42, 19, 23, 25, 55, 63, 27, 57, 65]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [36, 17, 16, 14, 9]
  Fragment all atoms: [36, 17, 59, 21, 16, 58, 28, 66, 14, 56, 26, 64, 9, 52, 5, 47, 48, 34]
  

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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