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

Submission ID: ZNA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 162.18659999999997
  Fragment main chain atoms: [16, 14, 11, 44, 21]
  Fragment all atoms: [16, 60, 32, 70, 14, 58, 30, 68, 11, 56, 6, 51, 52, 39, 44, 21, 62, 27]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [40, 20, 15, 13, 10]
  Fragment all atoms: [40, 20, 61, 28, 15, 59, 31, 69, 13, 57, 29, 67, 10, 55, 5, 49, 50, 38]
  

• C₄H₆O₃
  Fragment probability: 0.75
  Fragment mass: 246.04880000000003
  Fragment main chain atoms: [5, 38, 42, 41, 43, 39, 6]
  Fragment all atoms: [5, 49, 50, 38, 42, 41, 43, 39, 6, 51, 52, 11, 56, 14, 58]
  

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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