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

Submission ID: 76V
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₇O₃
  Fragment probability: 0.65
  Fragment mass: 86.089
  Fragment main chain atoms: [8, 26, 18]
  Fragment all atoms: [8, 47, 48, 3, 34, 35, 36, 26, 18, 14, 54, 13, 53, 27, 25]
  

• C₁₁H₁₈N₂O₃
  Fragment probability: 0.50
  Fragment mass: 184.19199999999998
  Fragment main chain atoms: [17, 12, 20, 15, 11, 9, 4]
  Fragment all atoms: [17, 23, 24, 57, 12, 52, 10, 50, 5, 7, 40, 41, 42, 45, 46, 20, 15, 21, 11, 51, 19, 9, 49, 6, 43, 44, 1, 28, 29, 30, 4, 37, 38, 39]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [17, 12, 10, 5]
  Fragment all atoms: [17, 23, 24, 57, 12, 52, 20, 10, 50, 7, 45, 46, 2, 31, 32, 33, 5, 40, 41, 42]
  

• C₁₁H₁₅N₂O₄
  Fragment probability: 0.48
  Fragment mass: 196.15980000000005
  Fragment main chain atoms: [17, 12, 20, 15, 11, 19, 16]
  Fragment all atoms: [17, 23, 24, 57, 12, 52, 10, 50, 5, 7, 40, 41, 42, 45, 46, 20, 15, 21, 11, 51, 9, 49, 4, 6, 37, 38, 39, 43, 44, 19, 16, 22]
  

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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