| 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: H8J
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Formula: C21H27N3O2 Compound mass: 353.4569000000001 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: 88.1279
Fragment main chain atoms: [12, 15, 4, 1]
Fragment all atoms: [12, 47, 48, 25, 53, 15, 50, 22, 4, 36, 37, 1, 27, 28, 29]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| H8J | 6DRZ |
| H8D | 6DRY |
| 7LD | 5TVN |
| H8G | 6DRX |
| ERM | 5TUD 4IAR 6BQG 4IB4 4NC3 |