| 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: VA1
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Formula: B1C11H10N1O4S1 Compound mass: 263.0770000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C2H2N1O2
Fragment probability: 0.76
Fragment mass: 100.0759
Fragment main chain atoms: [6, 13, 7]
Fragment all atoms: [6, 25, 14, 13, 7, 26, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| VA1 | 2I72 |
| HD5 | 6Q35 |
| HCQ | 6Q2Y |
| H9E | 6IBV |
| BZB | 1C3B 4C3Q 4BD0 3FKV 3IXB 3IXG 4BD1 |