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

Submission ID: NGP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₇H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 158.15149999999997
  Fragment main chain atoms: [53, 36, 33, 39, 32, 14]
  Fragment all atoms: [53, 36, 102, 54, 33, 100, 50, 39, 4, 66, 67, 68, 52, 32, 99, 49, 14, 91, 1, 57, 58, 59]
  

• C₉H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 172.15820000000005
  Fragment main chain atoms: [29, 25, 31, 38, 56, 35, 45, 97, 106, 46, 98, 107]
  Fragment all atoms: [29, 25, 96, 40, 31, 38, 3, 17, 63, 64, 65, 12, 30, 88, 56, 35, 101, 55, 45, 97, 106, 46, 98, 107]
  

• C₅H₄O₂
  Fragment probability: 0.40
  Fragment mass: 56.0631
  Fragment main chain atoms: [34, 51, 9]
  Fragment all atoms: [34, 24, 95, 15, 37, 47, 51, 9, 81, 82, 83]
  

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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