15-Keto prostaglandin A1

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Systematic / IUPAC Name: 7-[(1R,5S)-2-Oxo-5-[(E)-3-oxooct-1-enyl]cyclopent-3-en-1-yl]heptanoic acid

ID: Reference9765

Other Names: (13E)-9,15-Dioxoprosta-10,13-dien-1-oic acid;
15-Dehydroprostaglandin A1;
15-keto PGA1

Formula: C20H30O4

Class: Endogenous Metabolites

Spectral Data

15-Keto 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 Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 166
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2020 6:41:41 AM
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Identificators

InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-16,18H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,18+/m0/s1
InChI Key YKXHFAJZOFTAOC-DTXSUPOZSA-N
Canonical SMILES CCCCCC(=O)C=CC1C=CC(=O)C1CCCCCCC(=O)O
CAS 61600677
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Other Names (13E)-9,15-Dioxoprosta-10,13-dien-1-oic acid;
15-Dehydroprostaglandin A1;
15-keto PGA1

In Other Databases

ChemSpider 29763773
PubChem 90659869
ChEBI CHEBI:85552