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

Submission ID: 3ZP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [41, 38, 36, 25, 59, 44, 53, 126, 136, 51, 124, 134]
  Fragment all atoms: [41, 129, 56, 38, 36, 25, 115, 5, 76, 77, 78, 59, 44, 132, 57, 53, 126, 136, 51, 124, 134]
  

• C₇H₁₃O₄
  Fragment probability: 1.00
  Fragment mass: 144.1679
  Fragment main chain atoms: [20, 45, 42, 27, 58, 34, 54, 130, 137]
  Fragment all atoms: [20, 109, 110, 45, 8, 85, 86, 87, 55, 138, 42, 27, 117, 7, 82, 83, 84, 58, 34, 122, 62, 54, 130, 137]
  

• C₆H₉N₁O₄
  Fragment probability: 1.00
  Fragment mass: 159.13960000000003
  Fragment main chain atoms: [37, 35, 40, 26, 60, 43, 52, 125, 135]
  Fragment all atoms: [37, 35, 123, 46, 40, 128, 62, 26, 116, 6, 79, 80, 81, 60, 43, 131, 63, 52, 125, 135]
  

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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