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

Submission ID: EEB
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:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.19140000000004
  Fragment main chain atoms: [13, 20, 41, 10, 15, 17, 8, 70, 2, 22, 26, 29, 65, 74]
  Fragment all atoms: [13, 63, 20, 69, 42, 41, 10, 61, 6, 56, 57, 25, 72, 15, 17, 67, 39, 8, 70, 2, 49, 50, 51, 22, 26, 29, 65, 74]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [40, 18, 16, 14, 11]
  Fragment all atoms: [40, 18, 68, 24, 16, 66, 30, 75, 14, 64, 28, 73, 11, 62, 7, 58, 59, 38]
  

• C₄H₇O₃
  Fragment probability: 0.81
  Fragment mass: 103.0963
  Fragment main chain atoms: [19, 9, 3, 1]
  Fragment all atoms: [19, 31, 32, 76, 9, 60, 39, 3, 52, 53, 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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