Prostaglandin H2
9785
Reference
Prostaglandin H2 Structure
Systematic / IUPAC Name: (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptenoic acid
ID: Reference9785
Other Names:
9,11-Epoxymethano-PGH2;
Endoperoxide H2;
PGH2;
Prostaglandin R2;
(15S)Hydroxy-9α,11α-(epoxymethano)prosta-5,13-dienoate
; more
Formula: C20H32O5
Class: Endogenous Metabolites
Spectral Data
Prostaglandin H2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion with FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 3405 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/22/2020 4:45:20 PM |
Identificators
| InChI | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 |
| InChI Key | YIBNHAJFJUQSRA-YNNPMVKQSA-N |
| Canonical SMILES | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OO2)O |
| CAS | 42935171 |
| Splash | |
| Other Names |
9,11-Epoxymethano-PGH2; Endoperoxide H2; PGH2; Prostaglandin R2; (15S)Hydroxy-9α,11α-(epoxymethano)prosta-5,13-dienoate; (15S)Hydroxy-9α,11α-(epoxymethano)prosta-5,13-dienoic acid; (5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid; (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoate; (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid; (5Z,13E)-(15S)-9,11-Epidioxy-15-hydroxyprosta-5,13-dienoate; (5Z,13E)-(15S)-9,11-Epidioxy-15-hydroxyprosta-5,13-dienoic acid; (5Z,13E)-(15S)-9α,11α-Epidioxy-15-hydroxyprosta-5,13-dienoate; (5Z,13E)-(15S)-9α,11α-Epidioxy-15-hydroxyprosta-5,13-dienoic acid; (5Z,13E,15S)-9a,11a-Epidioxy-15-hydroxyprosta-5,13-dienoate; (5Z,13E,15S)-9a,11a-Epidioxy-15-hydroxyprosta-5,13-dienoic acid; (5Z,13E,15S)-9-α,11-α-Epidioxy-15-hydroxyprosta-5,13-dienoate; (5Z,13E,15S)-9-α,11-α-Epidioxy-15-hydroxyprosta-5,13-dienoic acid; (5Z,9a,11a,13E,15S)-9,11-Epidioxy-15-hydroxyprosta-5,13-dien-1-oate; (5Z,9a,11a,13E,15S)-9,11-Epidioxy-15-hydroxyprosta-5,13-dien-1-oic acid; (5Z,9α,11α,13E,15S)-9,11-Epidioxy-15-hydroxy-prosta-5,13-dien-1-oate; (5Z,9α,11α,13E,15S)-9,11-Epidioxy-15-hydroxy-prosta-5,13-dien-1-oic acid; (Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-Hydroxyoct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid; 15-Hydroxy-9α,11α-peroxidoprosta-5,13-dienoate; 15-Hydroxy-9α,11α-peroxidoprosta-5,13-dienoic acid; 9S,11R-Epidioxy-15S-hydroxy-5Z,13E-prostadienoate; 9S,11R-Epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid; Prosta-5,13-dien-1-oic acid, 9,11-epidioxy-15-hydroxy-, (5Z,9α,11α,13E,15S)- |
In Other Databases
| PubChem | 445049 |
| ChemSpider | 392800 |
| ChemIDPlus | 042935171 |
| HMDb | HMDB0001381 |
| ChEMBL | CHEMBL2074582 |
| ChEBI | CHEBI:15554 |
| Wikipedia | Prostaglandin H2 |
| KEGG | C00427 |