15(R)-15-Methyl prostaglandin A2

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Systematic / IUPAC Name: (5Z,13E,15R)-15-Hydroxy-15-methyl-9-oxoprosta-5,10,13-trien-1-oic acid

ID: Reference4717

Other Names: Prosta-5,10,13-trien-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (5Z,13E,15R)-;
15(R)-15-Methyl PGA2

Formula: C21H32O4

Class: Endogenous Metabolites

Spectral Data

15(R)-15-Methyl prostaglandin A2 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 481
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/30/2016 8:10:29 AM
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Identificators

InChI InChI=1S/C21H32O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h5,7,12-14,16-18,25H,3-4,6,8-11,15H2,1-2H3,(H,23,24)/b7-5-,16-14+/t17-,18-,21-/m1/s1
InChI Key UEBXYYKXJUBAJX-ULDSDQABSA-N
Canonical SMILES CCCCCC(C)(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
CAS 96440685
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Other Names Prosta-5,10,13-trien-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (5Z,13E,15R)-;
15(R)-15-Methyl PGA2

In Other Databases

PubChem 35020910
ChemSpider 29342018