| 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: VOL
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Formula: C5H13N1O1 Compound mass: 103.16230000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H11N1O1
Fragment probability: 0.50
Fragment mass: 103.16230000000002
Fragment main chain atoms: [3, 5, 4, 1]
Fragment all atoms: [3, 14, 15, 7, 20, 5, 17, 6, 4, 16, 2, 11, 12, 13, 1, 8, 9, 10]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| VOL | 4Y70 1M24 |
| VAI | 1PPG 4EST |
| THO | 2SOC 1SOC |
| DCL | 5MF8 4Y74 4Y6Z 4Y8I 5MF3 5M9Y 5FGH 2R9B 4Y8J 1DS3 4Y8P 3SBN 4Y3Y 4Y8K |
| 4HA | 1S83 2YG4 |