| 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: FJA
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Formula: C21H34O4 Compound mass: 350.4909 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H8O1
Fragment probability: 0.50
Fragment mass: 58.0789
Fragment main chain atoms: [10, 25, 5]
Fragment all atoms: [10, 48, 49, 13, 52, 6, 16, 41, 42, 25, 5, 38, 39, 40]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FJA | 3SMO 3SMM |
| CX7 | 3SP5 |
| FW1 | 3SML |
| FDK | 6GVD |
| HMC | 1MFU 1Z32 1MFV 3DHP 3BLK 1PIG 5CSU 1CPU 3BLP 1NM9 |