| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: 1GL
|
|
Formula: C7H14O4 Compound mass: 162.18310000000008 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: 147.14870000000005
Fragment main chain atoms: [11, 6, 3, 5, 7, 4, 22, 9, 25, 8, 21, 24]
Fragment all atoms: [11, 6, 3, 18, 19, 5, 7, 23, 10, 4, 20, 1, 12, 13, 14, 22, 9, 25, 8, 21, 24]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| DRI | 1CP8 |
| BRI | |
| 1GL | 1VAQ 5ES0 5XEW 6J0I 1D83 1EKH 1EKI 5ERZ 5YZE 5XJW |
| B8D | 3IJ7 |
| EMZ | 6G5Q |