Bicyclo prostaglandin E2

enlarge

Systematic / IUPAC Name: (Z)-7-[(1R,3aS,7aS)-4-Butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl]hept-5-enoic acid

ID: Reference9862

Other Names: (5Z,11β)-9,15-Dioxo-11,16-cycloprost-5-en-1-oic acid;
11-Deoxy-13,14-dihydro-15-keto-11β,16χ-cycloprostaglandin E2;
9,15-Dioxo-5Z-prostaenoic acid-cyclo[11S,16];
5-Heptenoic acid,7-[(1R,3as,7as)-4-butyloctahydro-2,5-dioxo-1H-inden-1-yl]-,(5Z)-;
Bicyclo PGE2

Formula: C20H30O4

Class: Endogenous Metabolites

Spectral Data

Bicyclo prostaglandin E2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 3227
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/12/2020 10:27:07 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-20(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4-/t14-,15-,16?,17+/m1/s1
InChI Key CGCZPIJMGKLVTQ-PAJBVNRRSA-N
Canonical SMILES CCCCC1C2CC(=O)C(C2CCC1=O)CC=CCCCC(=O)O
CAS 74158091
Splash
Other Names (5Z,11β)-9,15-Dioxo-11,16-cycloprost-5-en-1-oic acid;
11-Deoxy-13,14-dihydro-15-keto-11β,16χ-cycloprostaglandin E2;
9,15-Dioxo-5Z-prostaenoic acid-cyclo[11S,16];
5-Heptenoic acid,7-[(1R,3as,7as)-4-butyloctahydro-2,5-dioxo-1H-inden-1-yl]-,(5Z)-;
Bicyclo PGE2

In Other Databases

ChEBI CHEBI:89568
ChEMBL CHEMBL1320705
ChemSpider 4446170
HMDb HMDB0060054
PubChem 5283043