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

Submission ID: 71R
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.82

List of identified carbohydrate fragments:

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 175.16210000000004
  Fragment main chain atoms: [8, 11, 7, 12, 14, 15]
  Fragment all atoms: [8, 54, 28, 11, 57, 32, 77, 7, 53, 27, 12, 58, 33, 78, 14, 60, 35, 80, 15, 61, 39]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 145.13289999999998
  Fragment main chain atoms: [21, 16, 18, 37, 5]
  Fragment all atoms: [21, 4, 49, 50, 30, 75, 36, 81, 16, 62, 40, 18, 64, 39, 37, 5, 51, 1, 41, 42, 43]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 177.15480000000005
  Fragment main chain atoms: [9, 13, 10, 6, 38, 17, 34, 59, 79, 31, 56, 76]
  Fragment all atoms: [9, 55, 26, 13, 10, 6, 52, 3, 47, 48, 29, 74, 38, 17, 63, 40, 34, 59, 79, 31, 56, 76]
  

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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