Dataset
![molecular Image]()
Coumaphos
Chemical Info
| InChI | InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C |
| InChI Key | BXNANOICGRISHX-UHFFFAOYSA-N |
| Molecular Formula | C14H16ClO5PS |
| Exact Mass | 362.014 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01134001 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T13:27:01.759295 |
| MetadataModified | 2025-02-09T09:55:48.164850 |
| MetadataPublished | 2023-04-27 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C11025 | KEGG Ligand |
| CHEMBL251680 | ChEMBL |
| 3903 | ChEBI |
| DB11390 | DrugBank |
| 12481 | Brenda |
| MCULE-8986409592 | Mcule |
| 50366033 | BindingDB |
| J4.573J | Nikkaji |
| HMDB0250488 | Human Metabolome Database |
| DTXSID2020347 | EPA CompTox Dashboard |
| SCHEMBL120173 | SureChEMBL |
| ZINC000000608284 | ZINC |
| 509670 | eMolecules |
| 27518238 | eMolecules |
| 2871 | PubChem |
| WZ0 | PDBe |
| PD001940 | ProbesDrugs |
| 14953694 | PubChem: Thomson Pharma |
| LSM-19025 | LINCS |
| 56-72-4 | ACToR |
| L08SZ5Z5JC | FDA SRS |
| The data in this table is sourced from UniChem at EBI. | |