| 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: H8D
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Formula: C20H25N3O2 Compound mass: 339.4304 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: [11, 14, 3, 1]
Fragment all atoms: [11, 43, 44, 24, 50, 14, 46, 22, 3, 32, 33, 1, 26, 27, 28]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| H8D | 6DRY |
| 7LD | 5TVN |
| H8J | 6DRZ |
| H8G | 6DRX |
| ERM | 5TUD 4IAR 6BQG 4IB4 4NC3 |