| 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: B2E
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Formula: C9H11N3O6 Compound mass: 257.1997000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C3H3N1O3
Fragment probability: 0.81
Fragment mass: 98.07990000000001
Fragment main chain atoms: [4, 3, 10, 6]
Fragment all atoms: [4, 13, 14, 28, 3, 25, 26, 10, 6, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| B2E | 5OX5 |
| A0W | 5OP6 |
| 6HP | 5JAN |
| TPN | 176D 1HZS 2K4G 1PDT 3MBS 1PNN 5EMG 1RRU 1XJ9 1PUP 5EME 1NR8 3MBU |
| 40T | 2KVJ 3PA0 |