| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: SOY
|
|
Formula: C22H26N4O8S1 Compound mass: 506.52779999999996 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C3H4N1O3
Fragment probability: 0.83
Fragment mass: 104.08439999999999
Fragment main chain atoms: [9, 12, 19]
Fragment all atoms: [9, 50, 51, 33, 12, 52, 23, 19, 29, 28, 60]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| SOY | 2IWD |
| 0WO | 4EYB |
| 1S6 | 4MLL 5OJ1 4JXG 5OIZ 4F94 2IWD |
| CXV | 3MZD |
| CXU | 4R1G 1FCM |