| 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: C2V
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Formula: C21H21N5O1S1 Compound mass: 391.4885000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C4H7N2O1
Fragment probability: 0.45
Fragment mass: 125.1712
Fragment main chain atoms: [2, 25, 11, 10, 22, 21]
Fragment all atoms: [2, 32, 33, 34, 25, 11, 44, 45, 10, 42, 43, 22, 21, 27]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| C2V | 6AYW |
| 38G | 4TXC |
| KQE | 6S11 |
| IYZ | 4DYM 2C3I |
| 507 | 3OOM |