Systematic / IUPAC Name: (5Z,13E,15S)-15-Hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid
ID: Reference9755
Other Names:
(+)-Prostaglandin A2;
(155)-Pga2;
(15S)-Pga2;
15(S)-Prostaglandin A2;
5,6-cis-Pga2
; more
Formula: C20H30O4
Class: Endogenous Metabolites
Prostaglandin A2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion with FAIMS |
No. of Spectral Trees | 2 |
No. of Spectra | 2898 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/12/2020 7:15:40 AM |
InChI | InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1 |
InChI Key | MYHXHCUNDDAEOZ-FOSBLDSVSA-N |
Canonical SMILES | CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O |
CAS | 13345501 |
Splash | |
Other Names |
(+)-Prostaglandin A2; (155)-Pga2; (15S)-Pga2; 15(S)-Prostaglandin A2; 5,6-cis-Pga2; Medullin; Pga2; (Z)-7-[(1R,2S)-2-[(E,3S)-3-Hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoic acid; 15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostatrienoate; 15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostatrienoic acid; 15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostenoate; 15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostenoic acid; 15a-Hydroxy-9-oxo-cis-5,10,trans-13-prostatrienecarboxylate; 15a-Hydroxy-9-oxo-cis-5,10,trans-13-prostatrienecarboxylic acid; 15a-Hydroxy-9-oxo-cis-5,10,trans-13-prostatrienoate; 15a-Hydroxy-9-oxo-cis-5,10,trans-13-prostatrienoic acid; 5-Heptenoic acid, 7-(2-(3-hydroxy-1-octenyl)-5-oxo-3-cyclopenten-1-yl)-; 9-Oxo-15S-hydroxy-5Z,10Z,13E-prostatrienoic acid; Prosta-5,10,13-trien-1-oic acid, 15-hydroxy-9-oxo-, (5Z,13E,15S)- |
ChemSpider | 4444403 |
PubChem | 5280880 |
HMDb | HMDB0002752 |
ChemIDPlus | 013345501 |
ChEMBL | CHEMBL1084643 |
ChEBI | CHEBI:27820 |
KEGG | C05953 |