Systematic / IUPAC Name: (5Z,9α,11β,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dien-1-oic acid
ID: Reference4722
Other Names:
11β-PGF2α ;
11b-PGF2a ;
11-Epi-pgf2α;
11-Epi-PGF2α ;
11-Epi-prostaglandin F2α
; more
Formula: C20H34O5
Class: Endogenous Metabolites
11β-Prostaglandin F2α mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 1 |
No. of Spectra | 3873 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 5/2/2016 8:20:32 AM |
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 |
InChI Key | PXGPLTODNUVGFL-ZWAKLXPCSA-N |
Canonical SMILES | CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O |
CAS | 38432870 |
Splash | |
Other Names |
11β-PGF2α ; 11b-PGF2a ; 11-Epi-pgf2α; 11-Epi-PGF2α ; 11-Epi-prostaglandin F2α ; 9α,11β-Prostaglandin F2α ; (Z)-7-{(1R,2R,3S,5S)-3,5-Dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl}hept-5-enoate ; (Z)-7-{(1R,2R,3S,5S)-3,5-Dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl}hept-5-enoic acid ; (5Z)-7-{(1R,2R,3S,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl}hept-5-enoic acid ; (5Z,13E,15S)-9α,11β,15-Trihydroxyprosta-5,13-dien-1-oate; (5Z,13E,15S)-9α,11β,15-Trihydroxyprosta-5,13-dien-1-oic acid; 9S,11S,15S-Trihydroxy-5Z,13E-prostadienoate; 9S,11S,15S-Trihydroxy-5Z,13E-prostadienoic acid; 9α,11β-PGF2α |
HMDb | HMDB10199 |
ChEMBL | CHEMBL1369536 |
LipidsMAPs | LMFA03010036 |
PubChem | 5280886 |
ChEBI | CHEBI:27595 |
ChemSpider | 4444409 |
KEGG | C05959 |