Dataset
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 |
484 | DrugCentral |
ZINC000000057001 | ZINC |
CAPTOPRIL | DailyMed |
CAPTOPRIL | rxnorm |
CAPTOPRIL | clinicaltrials |
21642 | BindingDB |
HY-B0368 | MedChemExpress |
DTXSID1037197 | EPA CompTox Dashboard |
5158 | Guide to Pharmacology |
J3.203D | Nikkaji |
MCPRPL | CCDC |
CAPOTEN | clinicaltrials |
MCULE-1716939647 | Mcule |
489049 | eMolecules |
HMDB0015328 | Human Metabolome Database |
CB6206769 | ChemicalBook |
15116 | Brenda |
469 | Brenda |
captopril | DailyMed |
14797867 | PubChem: Thomson Pharma |
15195876 | PubChem: Thomson Pharma |
44093 | PubChem |
PD001635 | ProbesDrugs |
captopril | Atlas |
captopril-capoten | Selleck |
LSM-5648 | LINCS |
62571-86-2 | ACToR |
SCHEMBL4 | SureChEMBL |
PA448780 | PharmGKB |
9G64RSX1XD | FDA SRS |
The data in this table is sourced from UniChem at EBI. |