| 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: AWS
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Formula: C13H15N1O3 Compound mass: 233.2625000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C2H6N1
Fragment probability: 0.20
Fragment mass: 72.10870000000001
Fragment main chain atoms: [2, 14, 3]
Fragment all atoms: [2, 21, 22, 23, 14, 3, 24, 25, 26]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| AWS | 5QOK 5QDG 5Q1Q |
| 2ET | 4MSL |
| 4MU | 3ETS 5IK5 5IK8 4AX7 4V28 5JR3 |
| WY3 | 5ANG |
| XZZ | 4AU0 |