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

Submission ID: DYN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₅H₆N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.1052
  Fragment main chain atoms: [24, 20, 55, 29, 25]
  Fragment all atoms: [24, 94, 57, 20, 93, 14, 87, 88, 54, 55, 29, 96, 40, 25, 95, 50]
  

• C₄H₉O₂
  Fragment probability: 0.69
  Fragment mass: 89.11269999999999
  Fragment main chain atoms: [5, 2, 3, 7]
  Fragment all atoms: [5, 70, 71, 41, 103, 2, 64, 65, 3, 66, 67, 7, 74, 75, 52]
  

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 75.08619999999999
  Fragment main chain atoms: [6, 4, 8]
  Fragment all atoms: [6, 72, 73, 42, 104, 4, 68, 69, 8, 76, 77, 51]
  

• C₇H₁₃O₃
  Fragment probability: 0.68
  Fragment mass: 182.1112
  Fragment main chain atoms: [6, 4, 8, 51, 58, 53, 13]
  Fragment all atoms: [6, 72, 73, 42, 104, 4, 68, 69, 8, 76, 77, 51, 58, 53, 13, 85, 86, 18, 91, 11, 19, 81, 82, 92]
  

• C₇H₁₂O₂
  Fragment probability: 0.57
  Fragment mass: 151.0774
  Fragment main chain atoms: [8, 51, 58, 53, 13]
  Fragment all atoms: [8, 76, 77, 4, 68, 69, 6, 72, 73, 51, 58, 53, 13, 85, 86, 18, 91, 11, 19, 81, 82, 92]
  

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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