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

Submission ID: UPM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.69

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₇
  Fragment probability: 1.00
  Fragment mass: 235.19080000000008
  Fragment main chain atoms: [12, 19, 41, 8, 14, 16, 11, 67, 5, 27, 21, 29, 62, 72]
  Fragment all atoms: [12, 60, 19, 66, 42, 41, 8, 58, 4, 51, 52, 24, 69, 14, 16, 64, 39, 11, 67, 5, 53, 54, 25, 70, 27, 21, 29, 62, 72]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [40, 17, 15, 13, 9]
  Fragment all atoms: [40, 17, 65, 23, 15, 63, 30, 73, 13, 61, 28, 71, 9, 59, 6, 55, 56, 38]
  

• C₃H₅O₃
  Fragment probability: 0.98
  Fragment mass: 89.0698
  Fragment main chain atoms: [18, 7, 1]
  Fragment all atoms: [18, 31, 32, 74, 7, 57, 39, 1, 46, 47, 48]
  

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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