Dataset
![molecular Image]()
Ethionamide
Chemical Info
| InChI | InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) |
|---|---|
| SMILES | CCC1=NC=CC(=C1)C(N)=S |
| InChI Key | AEOCXXJPGCBFJA-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2S |
| Exact Mass | 166.056 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU104551 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T18:28:05.392024 |
| MetadataModified | 2025-02-09T14:42:56.590509 |
| MetadataPublished | 2020-08-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 1JA | PDBe |
| Ethionamide | Selleck |
| PA164768738 | PharmGKB |
| SCHEMBL27007 | SureChEMBL |
| 536-33-4 | ACToR |
| 5261-38-1 | ACToR |
| LSM-5620 | LINCS |
| OAY8ORS3CQ | FDA SRS |
| ethionamide | Atlas |
| PD002335 | ProbesDrugs |
| 15413224 | PubChem: Thomson Pharma |
| 2761171 | PubChem |
| 538116 | eMolecules |
| MCULE-1322319906 | Mcule |
| 20208897 | NMRShiftDB |
| HMDB0014747 | Human Metabolome Database |
| 4885 | Rhea |
| ethionamide | DailyMed |
| CB1292374 | ChemicalBook |
| ZINC000003872520 | ZINC |
| 2142 | Brenda |
| 156877 | Brenda |
| CHEMBL1441 | ChEMBL |
| DB00609 | DrugBank |
| SAM002554899 | NIH Clinical Collection |
| C07665 | KEGG Ligand |
| 92309393 | PubChem: Drugs of the Future |
| HY-B0276 | MedChemExpress |
| ETHIONAMIDE | clinicaltrials |
| TRECATOR-SC | clinicaltrials |
| TRECATOR | clinicaltrials |
| ETHIONAMIDE | DailyMed |
| ETHIONAMIDE | rxnorm |
| 50239976 | BindingDB |
| TRECATOR | rxnorm |
| 1083 | DrugCentral |
| J2.066D | Nikkaji |
| ETCYPY | CCDC |
| DTXSID0020577 | EPA CompTox Dashboard |
| 4885 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |