| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: SU8
|
|
Formula: C8H14O4 Compound mass: 174.1938000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H9O4
Fragment probability: 0.71
Fragment mass: 131.1064
Fragment main chain atoms: [7, 5, 6, 8]
Fragment all atoms: [7, 9, 10, 25, 5, 22, 23, 6, 24, 4, 20, 21, 3, 18, 19, 8, 12, 11, 26]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| SU8 | 4UUB |
| 4FU | 2NBL 2N4N 2N6I |
| DSB | 1I8J 2C1H 1EB3 1L6S |
| 4OX | 1GJP 1L6Y |
| 3OC | 3DZL |