| 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: CXT
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Formula: C31H46O18S2 Compound mass: 770.8142999999977 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H8O6
Fragment probability: 1.00
Fragment mass: 176.12380000000005
Fragment main chain atoms: [23, 22, 18, 46, 26, 24]
Fragment all atoms: [23, 88, 49, 22, 87, 48, 18, 84, 13, 79, 80, 32, 92, 46, 26, 91, 45, 24, 89, 47]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| CXT | 2C3E 4C9H 1OKC 4C9J 4C9Q 4C9G |
| T8X | 3T8X |
| NTP | 1NQ9 1E03 6F4V 3KCG 1AZX |
| NT1 | 1SR5 |
| 9QZ | 5OCA |