| 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: P58
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Formula: C9H11N1S2 Compound mass: 197.31990000000008 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C2H3N1
Fragment probability: 0.30
Fragment mass: 69.08500000000001
Fragment main chain atoms: [1, 10, 9]
Fragment all atoms: [1, 13, 14, 15, 10, 9]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| P58 | 3P58 |
| 9BE | 3WNR 3WNT |
| 1ZW | 4P01 |
| 271 | 2RBT |
| BTM | 6AXU 2Q9Y 4LXW 3KB9 6AXN 6OFV 4LTZ 6AXM 4LUU 4LZ0 3LG5 6AX9 4LZ3 |