15-Deoxy-Δ12,14-prostaglandin J2-2-glycerol ester

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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

Spectral Data

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.

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Available MS Data

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
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Identificators

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

In Other Databases

ChEBI CHEBI:85238
ChemSpider 29341666
PubChem 91666413