| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: 2GL
|
|
Formula: C8H14O5 Compound mass: 190.1932000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H11O4
Fragment probability: 1.00
Fragment mass: 147.14870000000002
Fragment main chain atoms: [12, 7, 3, 6, 8, 4, 11, 24, 27, 10, 23, 26]
Fragment all atoms: [12, 7, 3, 20, 21, 6, 8, 25, 13, 4, 22, 1, 14, 15, 16, 11, 24, 27, 10, 23, 26]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ERI | 1EKI 5ES0 1EKH 5XJW 5YZE 5XEW 1VAQ 6J0I 5ERZ 1D83 |
| 2GL | 1EKH 5XJW 1EKI |
| 1AR | |
| ARI | 6J0I 5YZE 5ES0 1D83 1VAQ 5XJW 5XEW 5ERZ |
| 9R2 | 5OCE |