| 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: 0JN
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Formula: C20H21N5 Compound mass: 331.4134000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C4H9N1
Fragment probability: 0.39
Fragment mass: 57.113899999999994
Fragment main chain atoms: [1, 20, 2]
Fragment all atoms: [1, 26, 27, 28, 20, 3, 32, 33, 34, 25, 2, 29, 30, 31]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 0JN | 4GKI 4LGH |
| BK1 | 3NCG 3I7B |
| VGG | 4LGG 2WEI |
| RB1 | 2PIQ |
| K10 | 2PIP |