| 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: LMC
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Formula: C18H21N1O1 Compound mass: 267.36460000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C2H2O1
Fragment probability: 0.50
Fragment mass: 54.0473
Fragment main chain atoms: [13, 12]
Fragment all atoms: [13, 41, 20, 12, 40]
C2H3
Fragment probability: 0.38
Fragment mass: 53.0823
Fragment main chain atoms: [1, 14]
Fragment all atoms: [1, 21, 22, 23, 14]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| LMC | 3FEP 4QGW 4QGX 4QGV |
| DIW | 3T0W 3T0X |
| 5CY | 5NS3 4K8X 3BEP 4JRP |
| TE2 | 3NJ9 |
| 96T | 5NS4 |