| 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: JAA
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Formula: C12H18O3 Compound mass: 210.26880000000014 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: [3, 4]
Fragment all atoms: [3, 21, 2, 19, 20, 1, 16, 17, 18, 4, 22, 5, 23, 24, 10, 32]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| JAA | 5ECN 5ECI 5ECL 5ECR 5ECH 5ECM 5ECO 5ECP 5ECQ 5GZZ 5ECK |
| OLI | |
| MYZ | 4UZL |
| NER | 2EUK 5URV |
| 02U | 3S04 |