Prostaglandin D2
9850
Reference
Prostaglandin D2 Structure
Systematic / IUPAC Name: (5Z,9α,13E,15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dien-1-oic acid
ID: Reference9850
Other Names:
11-Dehydroprostaglandin F2α;
PG2;
Pgd2;
(5E,13E)-9,15-Dihydroxy-11-oxoprosta-5,13-dien-1-oic acid;
(5Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoic acid
; more
Formula: C20H32O5
Class: Endogenous Metabolites
Spectral Data
Prostaglandin D2 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 | 1 |
| No. of Spectra | 880 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/6/2020 10:58:46 AM |
Identificators
| InChI | InChI=1S/C20H32O5/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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 |
| InChI Key | BHMBVRSPMRCCGG-OUTUXVNYSA-N |
| Canonical SMILES | CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O |
| CAS | 41598076 |
| Splash | |
| Other Names |
11-Dehydroprostaglandin F2α; PG2; Pgd2; (5E,13E)-9,15-Dihydroxy-11-oxoprosta-5,13-dien-1-oic acid; (5Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoic acid; (5Z,13E)-(15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E)-(15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid; (5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid; (5Z,13E)-(15S)-9α,15-Dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E)-(15S)-9α,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid; (5Z,13E,15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dien-1-oate; (5Z,13E,15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dien-1-oic acid; (5Z,13E,15S)-9α,15-Dihydroxy-11-oxoprosta-5,13-dien-1-oic acid; (5Z,13E,15S)-9α,15-Dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E,15S)-9-α,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid; (5Z,9α,13E,15S)-9,15-Dihydroxy-11-oxo-prosta-5,13-dien-1-oate; (Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid; 7-[5S-Hydroxy-2R-(3S-hydroxy-1E-octenyl)-3-oxocyclopentan-1R-yl]-5Z-heptenoic acid; 9S,15S-Dihydroxy-11-oxo-5Z,13E-prostadienoate; 9S,15S-Dihydroxy-11-oxo-5Z,13E-prostadienoic acid; Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-α,13E,15S)- |
In Other Databases
| Wikipedia | PGD2 |
| PubChem | 448457 |
| ChEBI | CHEBI:15555 |
| DrugBank | DB02056; DB02056 |
| ChEMBL | CHEMBL1235252 |
| ChemSpider | 395250 |
| HMDb | HMDB0001403 |
| KEGG | C00696 |
| ChemIDPlus | 041598076 |