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

Submission ID: DGZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 0.26

List of identified carbohydrate fragments:

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 103.11939999999998
  Fragment main chain atoms: [31, 73, 32]
  Fragment all atoms: [31, 112, 113, 30, 110, 111, 61, 73, 32, 114, 115, 33, 116, 117, 74]
  

• C₆H₁₀N₂O₃
  Fragment probability: 0.57
  Fragment mass: 145.15599999999998
  Fragment main chain atoms: [31, 73, 32, 33, 74, 38]
  Fragment all atoms: [31, 112, 113, 30, 110, 111, 61, 73, 32, 114, 115, 33, 116, 117, 74, 38, 125, 126, 51, 66, 62]
  

• C₇H₇N₂O₃
  Fragment probability: 0.41
  Fragment mass: 171.1734
  Fragment main chain atoms: [31, 30, 61, 55, 48, 64, 57]
  Fragment all atoms: [31, 112, 113, 73, 30, 110, 111, 61, 55, 70, 48, 129, 37, 123, 124, 41, 64, 57, 72]
  

• C₄H₆N₁O₃
  Fragment probability: 0.67
  Fragment mass: 102.0884
  Fragment main chain atoms: [32, 33, 74, 38]
  Fragment all atoms: [32, 114, 115, 73, 33, 116, 117, 74, 38, 125, 126, 51, 66, 62]
  

• C₉H₁₁N₂O₄
  Fragment probability: 0.47
  Fragment mass: 215.22580000000002
  Fragment main chain atoms: [32, 73, 31, 30, 61, 55, 48, 64, 57]
  Fragment all atoms: [32, 114, 115, 33, 116, 117, 74, 73, 31, 112, 113, 30, 110, 111, 61, 55, 70, 48, 129, 37, 123, 124, 41, 64, 57, 72]
  

• C₁₁H₁₃N₃O₅
  Fragment probability: 0.46
  Fragment mass: 257.2624
  Fragment main chain atoms: [38, 74, 33, 32, 73, 31, 30, 61, 55, 48, 64, 57]
  Fragment all atoms: [38, 125, 126, 51, 66, 62, 74, 33, 116, 117, 32, 114, 115, 73, 31, 112, 113, 30, 110, 111, 61, 55, 70, 48, 129, 37, 123, 124, 41, 64, 57, 72]
  

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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