Dataset

11,15-Dihydroxy-9-oxoprost-13-en-1-oic Acid, Topiglan, 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentaneheptanoic acid, (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate, (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid, Minprog, PGE1, Alprostadil, Prostaglandin E1, Prostivas, Caverject, Lipoprost, Prostandin, Liple, Liprostin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS121008 contains the MS2 mass spectrum of 11,15-Dihydroxy-9-oxoprost-13-en-1-oic Acid, Topiglan, 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentaneheptanoic acid, (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate, (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid, Minprog, PGE1, Alprostadil, Prostaglandin E1, Prostivas, Caverject, Lipoprost, Prostandin, Liple, Liprostin with the InChIkey GMVPRGQOIOIIMI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)
SMILES CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
InChI Key GMVPRGQOIOIIMI-UHFFFAOYSA-N
Molecular Formula C20H34O5
Exact Mass 354.487 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-RIKEN_ReSpect-PS121008
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:16:18.665739
MetadataModified 2025-02-09T19:24:19.300619
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD055753 ProbesDrugs
MCULE-5248179465 Mcule
214 PubChem
HMDB0256860 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.