| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: QDS
|
|
Formula: C12H11N3O4 Compound mass: 261.23300000000006 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C4H5N1O4
Fragment probability: 0.86
Fragment mass: 142.11249999999998
Fragment main chain atoms: [6, 10, 15, 11]
Fragment all atoms: [6, 25, 26, 16, 29, 10, 27, 12, 18, 19, 30, 15, 11, 17]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| QDS | |
| 34Q | 2RIP |
| UDS | |
| GRV | 5QHW |
| 42Z | 3OUI |