| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
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Home Process a structure file Publication files: |
Submission ID: TYU
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Formula: C9H16N2O6 Compound mass: 248.23250000000016 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H9N1O4
Fragment probability: 1.00
Fragment mass: 147.12890000000002
Fragment main chain atoms: [7, 6, 4, 17, 8]
Fragment all atoms: [7, 27, 15, 33, 6, 26, 14, 32, 4, 24, 3, 22, 23, 12, 30, 17, 8, 28, 11]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| TYU | 2FR5 |
| 5HT | 1EHL |
| THU | 1UWZ 1JTK 1UX1 1UX0 |
| MUM | 5ZQ8 5ZQ1 5ZQ0 5ZTH |
| AZC | 1KTI |