Dataset
![molecular Image]()
Captopril
Chemical Info
| InChI | InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 |
|---|---|
| SMILES | SCC(C)C(=O)N(C1)C(CC1)C(O)=O |
| InChI Key | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
| Molecular Formula | C9H15NO3S |
| Exact Mass | 217.077 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001953 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:20.117679 |
| MetadataModified | 2024-01-11T22:50:20.298718 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 3380 | ChEBI |
| SAM002564201 | NIH Clinical Collection |
| X8Z | PDBe |
| 12013747 | PubChem: Drugs of the Future |
| DB01197 | DrugBank |
| CHEMBL1560 | ChEMBL |
| 489049 | eMolecules |
| J3.203D | Nikkaji |
| MCPRPL | CCDC |
| MCULE-1716939647 | Mcule |
| 5158 | Guide to Pharmacology |
| 14797867 | PubChem: Thomson Pharma |
| 15195876 | PubChem: Thomson Pharma |
| 44093 | PubChem |
| PD001635 | ProbesDrugs |
| captopril | Atlas |
| PA448780 | PharmGKB |
| LSM-5648 | LINCS |
| 62571-86-2 | ACToR |
| SCHEMBL4 | SureChEMBL |
| captopril-capoten | Selleck |
| 9G64RSX1XD | FDA SRS |
| HY-B0368 | MedChemExpress |
| DTXSID1037197 | EPA CompTox Dashboard |
| 484 | DrugCentral |
| ZINC000000057001 | ZINC |
| 21642 | BindingDB |
| CAPTOPRIL | DailyMed |
| CAPTOPRIL | rxnorm |
| CAPTOPRIL | clinicaltrials |
| CAPOTEN | clinicaltrials |
| CB6206769 | ChemicalBook |
| captopril | DailyMed |
| HMDB0015328 | Human Metabolome Database |
| 15116 | Brenda |
| 469 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |