| 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: 2OB
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Formula: C45H78O2 Compound mass: 651.0964999999958 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H10
Fragment probability: 0.42
Fragment mass: 54.090199999999996
Fragment main chain atoms: [14, 15]
Fragment all atoms: [14, 80, 13, 78, 79, 12, 76, 77, 15, 81, 16, 82, 83, 17, 84, 85]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 2OB | 4F2A 4EWS 2OBD |
| CLL | 1CLE |
| Y01 | 6BWI 5ZX5 6O77 6NT4 6RV2 6RMG 6O72 3ZPR 4XNV 5OSA 6CNJ 6AEI 2Y02 6BQR 6BWD 6BQV 6D6T 6K7N 6CNK 2Y03 5W3S 6D6U 6G1K 5OCH 6PV8 6O6R 6PV7 6RV4 6NF4 4XP9 6RTW 2Y04 6O6A 6RV3 4XP4 4AA3 2Y00 2Y01 5C65 5CXV 5K7L 5Z96 6DMB 6OIJ 6DMY 5OSC 6K7M 5TR1 4XP6 6DZV 6NT3 3ZPQ 6K7K 6UKJ 6NF6 6K7G 6K7J 6K7L 5UN1 6K7I 6QD5 6K7H 4AYW 4XPT 4XP1 |
| 1KG | 4JCH |
| T25 | 3DSK 4CQ6 2RCL |