| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: DIB
|
|
Formula: C5H14N2 Compound mass: 102.17750000000008 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C2H6N1
Fragment probability: 0.20
Fragment mass: 72.10870000000001
Fragment main chain atoms: [1, 7, 2]
Fragment all atoms: [1, 8, 9, 10, 7, 2, 11, 12, 13]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| N3D | 3EY2 |
| DIB | 1M19 1M18 1M1A 1S32 |
| NSD | 3N29 |
| B33 | 2B4B |
| SPE | 5IBB 319D 5IB8 5IB7 |