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

Submission ID: AZP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₁₉H₂₀N₄O₈
  Fragment probability: 0.43
  Fragment mass: 412.3737
  Fragment main chain atoms: [4, 45, 31, 26, 19, 28, 37, 36, 30, 25, 34, 29, 24, 35, 32, 46, 20]
  Fragment all atoms: [4, 56, 57, 1, 47, 48, 49, 45, 31, 43, 26, 83, 38, 89, 19, 76, 77, 28, 40, 37, 36, 30, 42, 25, 82, 18, 74, 75, 22, 34, 29, 41, 24, 81, 17, 72, 73, 21, 80, 35, 32, 44, 46, 20, 78, 79, 23, 13, 14, 66, 67]
  

• C₅H₉O₃
  Fragment probability: 0.75
  Fragment mass: 87.0969
  Fragment main chain atoms: [4, 45, 31]
  Fragment all atoms: [4, 56, 57, 1, 47, 48, 49, 45, 31, 26, 83, 19, 76, 77, 38, 89, 43]
  

• C₁₇H₁₅N₄O₈
  Fragment probability: 0.41
  Fragment mass: 383.3127999999999
  Fragment main chain atoms: [20, 46, 32, 35, 24, 29, 34, 25, 30, 36, 37, 28, 19, 26, 31]
  Fragment all atoms: [20, 78, 79, 23, 13, 14, 66, 67, 46, 32, 44, 35, 24, 81, 17, 72, 73, 21, 80, 29, 41, 34, 25, 82, 18, 74, 75, 22, 30, 42, 36, 37, 28, 40, 19, 76, 77, 26, 83, 38, 89, 31, 43, 45]
  

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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