Dataset
![molecular Image]()
PGE2
Chemical Info
| InChI | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O |
| InChI Key | XEYBRNLFEZDVAW-ARSRFYASSA-N |
| Molecular Formula | C20H32O5 |
| Exact Mass | 352.225 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000349 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T12:47:40.986060 |
| MetadataModified | 2024-01-11T12:47:41.142215 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 15551 | ChEBI |
| C00584 | KEGG Ligand |
| 99431525 | PubChem: Drugs of the Future |
| CHEMBL548 | ChEMBL |
| 17497545 | eMolecules |
| 531175 | eMolecules |
| LSM-42919 | LINCS |
| LMFA03010003 | LipidMaps |
| 913 | DrugCentral |
| ZINC000003830713 | ZINC |
| 35847 | BindingDB |
| 229821 | Brenda |
| 229822 | Brenda |
| DINOPROSTONE | DailyMed |
| DINOPROSTONE | rxnorm |
| CERVIDIL | rxnorm |
| PREPIDIL | rxnorm |
| PROSTIN E2 | rxnorm |
| PROSTIN E2 | clinicaltrials |
| CERVIDIL | clinicaltrials |
| PROSTAGLANDIN E2 | clinicaltrials |
| PROPESS | clinicaltrials |
| PREPIDIL | clinicaltrials |
| DINOPROSTONE | clinicaltrials |
| HY-101952 | MedChemExpress |
| DTXSID4022947 | EPA CompTox Dashboard |
| 16018 | Brenda |
| 131299 | Brenda |
| 154396 | Brenda |
| 153411 | Brenda |
| PA449345 | PharmGKB |
| MTBLC15551 | Metabolights |
| 913 | Brenda |
| 2700 | Brenda |
| 55673 | Brenda |
| HMDB0001220 | Human Metabolome Database |
| 121883 | Brenda |
| 195152 | Brenda |
| DB00917 | DrugBank |
| 138728 | Brenda |
| dinoprostone | DailyMed |
| CB8461799 | ChemicalBook |
| 60021031 | NMRShiftDB |
| 14900948 | PubChem: Thomson Pharma |
| 14778621 | PubChem: Thomson Pharma |
| prostaglandin-e2-cervidil | Selleck |
| 363-24-6 | ACToR |
| K7Q1JQR04M | FDA SRS |
| PD009643 | ProbesDrugs |
| SCHEMBL25533 | SureChEMBL |
| 5280360 | PubChem |
| 1883 | Guide to Pharmacology |
| PROGLE | CCDC |
| 1916 | Guide to Pharmacology |
| P2E | PDBe |
| J9.243F | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |