| 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: D6I
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Formula: C21H23N7O1 Compound mass: 389.45270000000016 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C4H9N1O1
Fragment probability: 0.50
Fragment mass: 116.1611
Fragment main chain atoms: [11, 5, 10, 27, 2]
Fragment all atoms: [11, 46, 47, 29, 5, 38, 39, 10, 44, 45, 27, 2, 33, 34, 35]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| D6I | 4BZD |
| 6T2 | 5LBY 6BQP |
| 34U | 6BLE 4QMQ |
| 4YV | 5C8K |
| 8H0 | 5XY1 |