| 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: LLO
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Formula: C12H26N2O3 Compound mass: 246.34540000000018 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H10O1
Fragment probability: 0.60
Fragment mass: 56.105999999999995
Fragment main chain atoms: [2, 12, 3]
Fragment all atoms: [2, 21, 22, 23, 12, 8, 35, 36, 9, 37, 17, 43, 3, 24, 25, 26]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| LLO | 3NXF |
| LYP | 2UXN |
| LYU | |
| LP6 | 2W7Z |
| ELY | 5EPJ 5EPK 5EQ0 3R14 5EPL 4IPT |