Dataset

PGF2a

This MassBank record with Accession MSBNK-Chubu_Univ-UT000353 contains the MS2 mass spectrum of PGF2a with the InChIkey PXGPLTODNUVGFL-YNNPMVKQSA-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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
SMILES CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
InChI Key PXGPLTODNUVGFL-YNNPMVKQSA-N
Molecular Formula C20H34O5
Exact Mass 354.241 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-UT000353
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:24.275837
MetadataModified 2024-01-11T12:46:24.459935
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C00639 KEGG Ligand
CHEMBL815 ChEMBL
15553 ChEBI
J9.246K Nikkaji
1884 Guide to Pharmacology
HY-12956 MedChemExpress
DINOPROST TROMETHAMINE clinicaltrials
DINOPROST TROMETAMOL clinicaltrials
DINOPROST clinicaltrials
PROSTIN F2 ALPHA clinicaltrials
PGF2A THAM clinicaltrials
LUTALYSE rxnorm
DINOPROST rxnorm
DINOPROST TROMETHAMINE rxnorm
50035622 BindingDB
PGF2ALPHA-THAM clinicaltrials
DTXSID9022946 EPA CompTox Dashboard
912 DrugCentral
ZINC000003830709 ZINC
LMFA03010002 LipidMaps
33679 Brenda
B7IN85G1HY FDA SRS
81583 Brenda
154397 Brenda
107133 Brenda
103923 Brenda
8976 Brenda
2217 Brenda
153412 Brenda
DB12789 DrugBank
132131 Brenda
MTBLC15553 Metabolights
CB3161368 ChemicalBook
LSM-45599 LINCS
1934587 eMolecules
15398784 PubChem: Thomson Pharma
5280363 PubChem
UGU PDBe
60020699 NMRShiftDB
14852168 PubChem: Thomson Pharma
prostaglandin F2alpha Atlas
13535-33-6 ACToR
551-11-1 ACToR
PD013129 ProbesDrugs
SCHEMBL24292 SureChEMBL
The data in this table is sourced from UniChem at EBI.