16,16-Dimethyl prostaglandin A1

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Systematic / IUPAC Name: (13E,15R)-15-Hydroxy-16,16-dimethyl-9-oxoprosta-10,13-dien-1-oic acid

ID: Reference4729

Other Names: 16,16-Dime-PGA1 ;
DMPGA1 ;
16,16-Dimethyl-PGA1 ;
7-{(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl}heptanoic acid ;
9-Oxo-15R-hydroxy-16,16-dimethyl-10Z,13E-prostadienoic acid ; more

Formula: C22H36O4

Class: Endogenous Metabolites

Spectral Data

16,16-Dimethyl prostaglandin A1 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 1159
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/5/2016 8:32:27 AM
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Identificators

InChI InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h12-15,17-18,20,24H,4-11,16H2,1-3H3,(H,25,26)/b15-13+/t17-,18-,20-/m1/s1
InChI Key CTQQHQGBBMYJPT-DZFVFWAGSA-N
Canonical SMILES CCCCC(C)(C)C(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O
CAS 41692244
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Other Names 16,16-Dime-PGA1 ;
DMPGA1 ;
16,16-Dimethyl-PGA1 ;
7-{(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl}heptanoic acid ;
9-Oxo-15R-hydroxy-16,16-dimethyl-10Z,13E-prostadienoic acid;
9-Oxo-15R-hydroxy-16,16-dimethylprosta-10,13E-dien-1-oic acid;
Prosta-10,13-dien-1-oic acid, 15-hydroxy-16,16-dimethyl-9-oxo-, (13E,15R)-

In Other Databases

ChemIDPlus 041692244
ChemSpider 4436580
PubChem 5271806