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

Submission ID: D69
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [67, 39, 36, 35, 32]
  Fragment all atoms: [67, 39, 108, 53, 36, 107, 58, 120, 35, 106, 57, 119, 32, 104, 19, 97, 98, 66]
  

• C₆H₁₂O₆
  Fragment probability: 1.00
  Fragment mass: 306.1006
  Fragment main chain atoms: [19, 66, 70, 68, 69, 65, 18, 31, 34]
  Fragment all atoms: [19, 97, 98, 66, 70, 68, 69, 65, 18, 95, 96, 31, 103, 55, 117, 34, 105, 30, 102, 17, 93, 94, 54, 116, 56, 118]
  

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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