| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
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Home Process a structure file Publication files: |
Submission ID: S41
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Formula: C22H20N6O4 Compound mass: 432.43120000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C2H3N1O1
Fragment probability: 0.50
Fragment mass: 110.11699999999999
Fragment main chain atoms: [4, 28, 22]
Fragment all atoms: [4, 42, 43, 44, 28, 22, 30]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| S41 | 4DHY 3S41 |
| 00J | 2XIR |
| 6XQ | 5KW2 |
| 38C | 4P8K 4P8Y |
| R58 | 4P8M |