Systematic / IUPAC Name: 1,3-Dihydroxy-2-propanyl (5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate
ID: Reference4746
Other Names:
11-Oxo-5Z,9,12E,14E-prostatetraenoate;
11-Oxo-5Z,9,12E,14E-prostatetraenoic acid 2-glyceryl ester;
2-Glyceryl 11-oxo-5Z,9,12E,14E-prostatetraenoate;
1,3-Dihydroxypropan-2-yl (5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate;
15-deoxy-Δ12,14-PGJ2-2-glycerol ester
Formula: C23H34O5
Class: Endogenous Metabolites
15-Deoxy-Δ12,14-prostaglandin J2-2-glycerol ester 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 | 2659 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 5/9/2016 1:24:48 PM |
InChI | InChI=1S/C23H34O5/c1-2-3-4-5-6-10-13-21-19(15-16-22(21)26)12-9-7-8-11-14-23(27)28-20(17-24)18-25/h6-7,9-10,13,15-16,19-20,24-25H,2-5,8,11-12,14,17-18H2,1H3/b9-7-,10-6+,21-13+/t19-/m0/s1 |
InChI Key | JGKIBUMNHSZUSL-SLDNAQRASA-N |
Canonical SMILES | CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)OC(CO)CO |
CAS | |
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Other Names |
11-Oxo-5Z,9,12E,14E-prostatetraenoate; 11-Oxo-5Z,9,12E,14E-prostatetraenoic acid 2-glyceryl ester; 2-Glyceryl 11-oxo-5Z,9,12E,14E-prostatetraenoate; 1,3-Dihydroxypropan-2-yl (5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate; 15-deoxy-Δ12,14-PGJ2-2-glycerol ester ; 11-oxo-prosta-5Z,9,12E,14E-tetraen-1-oic acid, 2-glycerol ester |
ChEBI | CHEBI:85238 |
ChemSpider | 29341666 |
PubChem | 91666413 |