| 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: MIG
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Formula: C8H17N1O5 Compound mass: 207.22360000000012 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H12N1O4
Fragment probability: 1.00
Fragment mass: 190.19650000000004
Fragment main chain atoms: [3, 6, 8, 7, 5, 9]
Fragment all atoms: [3, 19, 20, 6, 24, 12, 29, 8, 26, 14, 31, 7, 25, 13, 30, 5, 23, 4, 21, 22, 11, 28, 9]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| MIG | 3L4W 5NN6 6CA1 6CA3 |
| NBV | 5IEF 2V3D |
| DNJ | |
| DDM | |
| DMJ | 4AD3 4AD5 4AQ0 1KRE 4D4C 1HXK 1FO2 5MEH 3QRY 1G6I |