| 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: STN
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Formula: C8H15N1O4 Compound mass: 189.2084000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H8N1O3
Fragment probability: 0.54
Fragment mass: 160.12770000000003
Fragment main chain atoms: [5, 9, 4, 7, 8]
Fragment all atoms: [5, 24, 10, 9, 4, 22, 23, 7, 26, 3, 20, 21, 6, 25, 8, 11, 12, 27]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| STN | 1GKD |
| BRR | 1RL4 |
| FH7 | 2W77 2W78 2W6T |
| FHO | 1XKH 2W16 2IAH 2W77 2W76 2W6T 2W78 |
| AHO | 2W6U 1BY5 4B8Y |