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

Submission ID: MFS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₆H₇O₆
  Fragment probability: 1.00
  Fragment mass: 175.11590000000004
  Fragment main chain atoms: [19, 21, 23, 25, 44, 17]
  Fragment all atoms: [19, 75, 39, 21, 77, 40, 23, 79, 42, 25, 81, 46, 44, 17, 73, 8, 69, 70, 37]
  

• C₆H₇O₅
  Fragment probability: 1.00
  Fragment mass: 159.1165
  Fragment main chain atoms: [18, 45, 26, 24, 22, 20]
  Fragment all atoms: [18, 74, 9, 71, 72, 38, 45, 26, 82, 24, 80, 43, 22, 78, 41, 20, 76, 46]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 86.089
  Fragment main chain atoms: [8, 37, 10]
  Fragment all atoms: [8, 69, 70, 37, 10, 1, 48, 49, 50, 28]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 86.089
  Fragment main chain atoms: [9, 38, 11]
  Fragment all atoms: [9, 71, 72, 38, 11, 2, 51, 52, 53, 29]
  

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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